N-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
N-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016421 |
| Compound Name: | N-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 506.07 |
| Molecular Formula: | C28 H28 Cl N3 O2 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(NCc1ccccc1)=O)SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.55 |
| logD: | 6.5499 |
| logSw: | -6.0334 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.434 |
| InChI Key: | BBFDOYPDOKPLHW-UHFFFAOYSA-N |