3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0443 |
| Compound Name: | 3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 548.62 |
| Molecular Formula: | C28 H28 N4 O6 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(C(=Nc2c1)SCc1ccc(cc1)[N+]([O-])=O)c1cc(cc(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6269 |
| logD: | 4.6269 |
| logSw: | -4.4169 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.313 |
| InChI Key: | KCQZXGLIIIOBKR-UHFFFAOYSA-N |