3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
Compound ID: | Y503-4360 |
Compound Name: | 3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
Molecular Weight: | 453.01 |
Molecular Formula: | C24 H25 Cl N4 O S |
Smiles: | Cc1ccccc1CSC1=Nc2ccccc2C(N1CCCn1c(C)c(c(C)n1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.9808 |
logD: | 4.9808 |
logSw: | -4.958 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 40.281 |
InChI Key: | VVDKSEXJMGYRIG-UHFFFAOYSA-N |