2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-3-(3-fluorophenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-3-(3-fluorophenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-3-(3-fluorophenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1167 |
| Compound Name: | 2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-3-(3-fluorophenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 517.62 |
| Molecular Formula: | C29 H28 F N3 O3 S |
| Smiles: | CC(C)NC(c1ccc2C(N(C(=Nc2c1)SC(C)C(c1ccc(C)c(C)c1)=O)c1cccc(c1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.515 |
| logD: | 5.515 |
| logSw: | -5.4675 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.557 |
| InChI Key: | NFPLKQUKTWMTDW-IBGZPJMESA-N |