N-[(2-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
N-[(2-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016253 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 454.98 |
| Molecular Formula: | C23 H23 Cl N4 O2 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(NCc1ccccc1[Cl])=O)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 4.663 |
| logD: | 4.6629 |
| logSw: | -4.7878 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.198 |
| InChI Key: | AAKWGMQFXQBANI-UHFFFAOYSA-N |