| CAS Number | 459429-39-1 |
| Catalog Number | AG00DGSW(AGN-PC-0MUF8A) |
| Chemical Name | N-(2-Bromophenyl)-N'-[2-[ethyl(3-methylphenyl)amino]ethyl]-urea |
| IUPAC Name | 1-(2-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea |
| InChI | InChI=1S/C18H22BrN3O/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23) |
| InChI Key | IFJYEGJUQIBBQV-UHFFFAOYSA-N |
| MDL Number | MFCD19690909 |
| Molecular Formula | C18H22BrN3O |
| Molecular Weight | 376.2908 |
| SMILES | BrC1=C(C=CC=C1)NC(=O)NCCN(C=1C=C(C=CC1)C)CC |
| Synonyms | SB 452533,
459429-39-1,
SB-452533,
N-(2-Bromophenyl)-N'-[2-[ethyl(3-methylphenyl)amino]ethyl]-urea,
n-(2-bromophenyl)-n'-{2-[ethyl(3-methylphenyl)amino]ethyl}-urea,
IFJYEGJUQIBBQV-UHFFFAOYSA-N,
SB452533,
CHEMBL120735,
GTPL4310,
SCHEMBL6732278,
BDBM20468,
ZINC1553653,
AKOS024457514,
NCGC00387088-01,
1-(2-Bromo-phenyl)-3-[2-(ethyl-m-tolyl-amino)-ethyl]-urea,
1-(2-bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea,
3-(2-bromophenyl)-1-{2-[ethyl(3-methylphenyl)amino]ethyl}urea,
N-[2-Bromophenyl]-N'-[2-(N''-ethyl-N''-(3-methylphenyl)amino)ethyl]urea,
D0U3WK,
CID9842609,
3-(2-bromophenyl)-1-[2-[ethyl-(3-methylphenyl)amino]ethyl]urea,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 375.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 376.298g/mol |
| Monoisotopic Mass | 375.095g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number