3-(3,5-dimethylphenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-(3,5-dimethylphenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0483 |
| Compound Name: | 3-(3,5-dimethylphenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 517.62 |
| Molecular Formula: | C29 H28 F N3 O3 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(C(=Nc2c1)SCC(c1ccc(cc1)F)=O)c1cc(C)cc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.169 |
| logD: | 5.1667 |
| logSw: | -4.9718 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.091 |
| InChI Key: | CJUVCYRYYJFCTR-UHFFFAOYSA-N |