2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G859-0027 |
| Compound Name: | 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 526 |
| Molecular Formula: | C27 H22 Cl F2 N3 O2 S |
| Smiles: | C1CCN(CC1)C(c1ccc2C(N(C(=Nc2c1)SCc1c(cccc1[Cl])F)c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1499 |
| logD: | 5.1498 |
| logSw: | -5.4946 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.808 |
| InChI Key: | XBNSNRBCOZAVDS-UHFFFAOYSA-N |