| CAS Number | 1393813-43-8 |
| Catalog Number | AG001AW8(AGN-PC-0WH5SH) |
| Chemical Name | SulfaMide, N-[5-(4-broMophenyl)-6-(2-hydroxyethoxy)-4-pyriMidinyl]-N'-propyl- |
| IUPAC Name | 2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethanol |
| InChI | InChI=1S/C15H19BrN4O4S/c1-2-7-19-25(22,23)20-14-13(11-3-5-12(16)6-4-11)15(18-10-17-14)24-9-8-21/h3-6,10,19,21H,2,7-9H2,1H3,(H,17,18,20) |
| InChI Key | MKPBJHFHEQSWAH-UHFFFAOYSA-N |
| MDL Number | MFCD25372066 |
| Molecular Formula | C15H19BrN4O4S |
| Molecular Weight | 431.3048 |
| SMILES | CCCNS(=O)(NC1=NC=NC(OCCO)=C1C2=CC=C(Br)C=C2)=O |
| Synonyms | 1393813-43-8,
N-(5-(4-bromophenyl)-6-(2-hydroxyethoxy)pyrimidin-4-yl)propane-1-sulfamide,
N-[5-(4-bromophenyl)-6-(2-hydroxyethoxy)-4-pyrimidinyl]-N'-propylsulfamide,
N-5-(4-bromophenyl)-6-(2-hydroxyethoxy)-4-pyrimidinyl-N'-propylsulfamide,
MKPBJHFHEQSWAH-UHFFFAOYSA-N,
SCHEMBL12973800,
BCP09333,
CS-M1796,
ZINC95093019,
AKOS032960263,
Sulfamide, N-[5-(4-bromophenyl)-6-(2-hydroxyethoxy)-4-pyrimidinyl]-N'-propyl-,
CS-13431,
DA-45399,
FT-0699561,
N-[5-(4-bromophenyl)-6-(2-hydroxyethoxy)-4-pyrimidinyl]-N'-propyl-,
N-[5-(4-bromophenyl)-6-(2-hydroxyethoxy)pyrimidin-4-yl]-N'-propylsulfamide,
SulfaMide,N-[5-(4-broMophenyl)-6-(2-hydroxyethoxy)-4-pyriMidinyl]-N'-propyl-,
ACN-036802,
129179-83-5,
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| Complexity | 482 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 430.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 431.305g/mol |
| Monoisotopic Mass | 430.031g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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