| CAS Number | 1945950-21-9 |
| Catalog Number | AG01ENKB(AGN-PC-3H45O3) |
| Chemical Name | 1-[(1,3-Dimethyl-1H-pyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-N-(1-methylcyclopropyl)-3-[(2-methyl-5-thiazolyl)methyl]-2,4-dioxo-6-quinazolinesulfonamide |
| IUPAC Name | 1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide |
| InChI | InChI=1S/C23H26N6O4S2/c1-14-9-16(27(4)25-14)12-28-20-6-5-18(35(32,33)26-23(3)7-8-23)10-19(20)21(30)29(22(28)31)13-17-11-24-15(2)34-17/h5-6,9-11,26H,7-8,12-13H2,1-4H3 |
| InChI Key | IFWUBRBMMNTBRZ-UHFFFAOYSA-N |
| MDL Number | MFCD30536372 |
| Molecular Formula | C23H26N6O4S2 |
| Molecular Weight | 514.6203 |
| SMILES | CN1N=C(C=C1CN1C(N(C(C2=CC(=CC=C12)S(=O)(=O)NC1(CC1)C)=O)CC1=CN=C(S1)C)=O)C |
| Synonyms | PDD 00017273,
1945950-21-9,
1-((1,3-Dimethyl-1H-pyrazol-5-yl)methyl)-N-(1-methylcyclopropyl)-3-((2-methylthiazol-5-yl)methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide,
SCHEMBL17825271,
AKOS030210969,
HY-108360,
CS-0028457,
PDD00017273, >=98% (HPLC),
1-[(1,3-Dimethyl-1H-pyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-N-(1-methylcyclopropyl)-3-[(2-methyl-5-thiazolyl)methyl]-2,4-dioxo-6-quinazolinesulfonamide,
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| Complexity | 954 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 514.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 514.619g/mol |
| Monoisotopic Mass | 514.146g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 154A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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