2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G836-0175 |
| Compound Name: | 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 524.06 |
| Molecular Formula: | C28 H27 Cl F N3 O2 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(CCc3ccccc3)C(=Nc2c1)SCc1ccc(cc1[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1696 |
| logD: | 6.1696 |
| logSw: | -5.9425 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.434 |
| InChI Key: | MWROAPQXDHZLBH-UHFFFAOYSA-N |