3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y503-4382 |
| Compound Name: | 3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 438.98 |
| Molecular Formula: | C23 H23 Cl N4 O S |
| Smiles: | Cc1ccccc1CSC1=Nc2ccccc2C(N1CCCn1cc(c(C)n1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7737 |
| logD: | 4.7737 |
| logSw: | -4.8148 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.858 |
| InChI Key: | SJNCADCLVLHSBC-UHFFFAOYSA-N |