3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-{[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-{[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-{[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y503-4625 |
| Compound Name: | 3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-{[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 488.94 |
| Molecular Formula: | C23 H19 Cl F2 N4 O2 S |
| Smiles: | Cc1c(cn(CCCN2C(=Nc3ccccc3C2=O)SCC(c2ccc(cc2F)F)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9589 |
| logD: | 3.9589 |
| logSw: | -4.3081 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.105 |
| InChI Key: | FIYZQWKRVLRIPA-UHFFFAOYSA-N |