3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y503-4371 |
| Compound Name: | 3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 414.89 |
| Molecular Formula: | C20 H16 Cl F N4 O S |
| Smiles: | C(Cn1cc(cn1)[Cl])N1C(=Nc2ccccc2C1=O)SCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.4179 |
| logD: | 3.4179 |
| logSw: | -3.9381 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.505 |
| InChI Key: | YARPPGBEXQXWKW-UHFFFAOYSA-N |