3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y503-4586 |
| Compound Name: | 3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 459.4 |
| Molecular Formula: | C22 H20 Cl2 N4 O S |
| Smiles: | Cc1c(cn(CCCN2C(=Nc3ccccc3C2=O)SCc2ccc(cc2)[Cl])n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2907 |
| logD: | 4.2907 |
| logSw: | -4.5738 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.858 |
| InChI Key: | AYHBMLBSYSNXQI-UHFFFAOYSA-N |