N-cyclopentyl-3-(3,5-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-3-(3,5-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N-cyclopentyl-3-(3,5-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0419 |
| Compound Name: | N-cyclopentyl-3-(3,5-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 560.63 |
| Molecular Formula: | C29 H28 N4 O6 S |
| Smiles: | COc1cc(cc(c1)OC)N1C(=Nc2cc(ccc2C1=O)C(NC1CCCC1)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1331 |
| logD: | 5.133 |
| logSw: | -5.005 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.133 |
| InChI Key: | LPYNVLSWELKXSL-UHFFFAOYSA-N |