3-cyclohexyl-N-(3,4-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-cyclohexyl-N-(3,4-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-cyclohexyl-N-(3,4-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016108 |
| Compound Name: | 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 574.66 |
| Molecular Formula: | C30 H30 N4 O6 S |
| Smiles: | COc1ccc(cc1OC)NC(c1ccc2C(N(C3CCCCC3)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3866 |
| logD: | 5.3841 |
| logSw: | -5.2875 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.726 |
| InChI Key: | DGQDAQCKDRVFNH-UHFFFAOYSA-N |