1-[2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-[2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide
1-[2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K289-0500 |
| Compound Name: | 1-[2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide |
| Molecular Weight: | 551.04 |
| Molecular Formula: | C28 H24 Cl F N4 O3 S |
| Smiles: | C1CN(CCC1C(N)=O)C(c1ccc2C(N(C(=Nc2c1)SCc1ccc(cc1)[Cl])c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0512 |
| logD: | 3.051 |
| logSw: | -3.6596 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.867 |
| InChI Key: | UNZWKNXYCMCWQI-UHFFFAOYSA-N |