3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y503-4357 |
| Compound Name: | 3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 456.97 |
| Molecular Formula: | C23 H22 Cl F N4 O S |
| Smiles: | Cc1c(c(C)n(CCCN2C(=Nc3ccccc3C2=O)SCc2ccccc2F)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4672 |
| logD: | 4.4672 |
| logSw: | -4.7547 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.281 |
| InChI Key: | HLWOHPHCMMTMBM-UHFFFAOYSA-N |