N-[(2-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
N-[(2-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016313 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 551.06 |
| Molecular Formula: | C28 H27 Cl N4 O4 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(NCc1ccccc1[Cl])=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.5387 |
| logD: | 6.5387 |
| logSw: | -6.0469 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.816 |
| InChI Key: | AOZARRMSFSCHJN-UHFFFAOYSA-N |