N-[(2-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
N-[(2-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0015853 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 488.99 |
| Molecular Formula: | C26 H21 Cl N4 O2 S |
| Smiles: | C(CN1C(=Nc2cc(ccc2C1=O)C(NCc1ccccc1[Cl])=O)SCC#N)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4531 |
| logD: | 4.453 |
| logSw: | -4.6073 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.926 |
| InChI Key: | FEXJMCUPJKCXRM-UHFFFAOYSA-N |