N-(3-chlorophenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
N-(3-chlorophenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016307 |
| Compound Name: | N-(3-chlorophenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 537.04 |
| Molecular Formula: | C27 H25 Cl N4 O4 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(Nc1cccc(c1)[Cl])=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.8444 |
| logD: | 6.8351 |
| logSw: | -6.1461 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.494 |
| InChI Key: | JLZOAFNGCGSETK-UHFFFAOYSA-N |