2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1190 |
| Compound Name: | 2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(3-fluorophenyl)-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(c1cc(C)ccc1C)=O)c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1722 |
| logD: | 5.1722 |
| logSw: | -4.9248 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.091 |
| InChI Key: | WHXOGBSBQPJRFC-UHFFFAOYSA-N |