N-benzyl-2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethylphenyl)-N-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethylphenyl)-N-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N-benzyl-2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethylphenyl)-N-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G859-0134 |
| Compound Name: | N-benzyl-2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethylphenyl)-N-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 468.58 |
| Molecular Formula: | C27 H24 N4 O2 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2cc(ccc2C1=O)C(N(C)Cc1ccccc1)=O)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 4.1552 |
| logD: | 4.1503 |
| logSw: | -4.3071 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.073 |
| InChI Key: | AFWRAZUXDTUHBX-UHFFFAOYSA-N |