3-(3-fluorophenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3-fluorophenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-(3-fluorophenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1152 |
| Compound Name: | 3-(3-fluorophenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 521.59 |
| Molecular Formula: | C28 H25 F2 N3 O3 S |
| Smiles: | CC(C)CCNC(c1ccc2C(N(C(=Nc2c1)SCC(c1ccc(cc1)F)=O)c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6504 |
| logD: | 4.6503 |
| logSw: | -4.3832 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.933 |
| InChI Key: | KPBGENHYVQSQIU-UHFFFAOYSA-N |