N-(3-chlorophenyl)-2-[(cyanomethyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[(cyanomethyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
N-(3-chlorophenyl)-2-[(cyanomethyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016247 |
| Compound Name: | N-(3-chlorophenyl)-2-[(cyanomethyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 440.95 |
| Molecular Formula: | C22 H21 Cl N4 O2 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(Nc1cccc(c1)[Cl])=O)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 4.9686 |
| logD: | 4.9593 |
| logSw: | -4.903 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.876 |
| InChI Key: | NHKQNVPXIJGBCE-UHFFFAOYSA-N |