2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-N-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-N-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-N-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0597 |
| Compound Name: | 2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-N-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 531.65 |
| Molecular Formula: | C30 H30 F N3 O3 S |
| Smiles: | CC(C)CN1C(=Nc2cc(ccc2C1=O)C(NCc1ccc(cc1)F)=O)SCC(c1ccc(C)cc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8984 |
| logD: | 5.8983 |
| logSw: | -5.3864 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.703 |
| InChI Key: | FQCMCPWQSWFTSG-UHFFFAOYSA-N |