3-benzyl-2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-benzyl-2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0093 |
| Compound Name: | 3-benzyl-2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 527.69 |
| Molecular Formula: | C31 H33 N3 O3 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(Cc3ccccc3)C(=Nc2c1)SC(C)C(c1ccc(C)c(C)c1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4621 |
| logD: | 6.4621 |
| logSw: | -5.5642 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.195 |
| InChI Key: | RKJRXCKCCSKOSN-QFIPXVFZSA-N |