2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G859-0215 |
| Compound Name: | 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 538.04 |
| Molecular Formula: | C28 H25 Cl F N3 O3 S |
| Smiles: | COc1ccc(cc1)N1C(=Nc2cc(ccc2C1=O)C(N1CCCCC1)=O)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.0568 |
| logD: | 5.0567 |
| logSw: | -5.2141 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.352 |
| InChI Key: | NMBWBRHDTSTCDG-UHFFFAOYSA-N |