2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0081 |
| Compound Name: | 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 513.99 |
| Molecular Formula: | C26 H22 Cl F2 N3 O2 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(C(=Nc2c1)SCc1c(cccc1[Cl])F)c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4041 |
| logD: | 5.4041 |
| logSw: | -5.8701 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.844 |
| InChI Key: | ZHCGOGWOHHULSK-UHFFFAOYSA-N |