2-{[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]sulfanyl}-3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]sulfanyl}-3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]quinazolin-4(3H)-one
2-{[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]sulfanyl}-3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y503-4518 |
| Compound Name: | 2-{[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]sulfanyl}-3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]quinazolin-4(3H)-one |
| Molecular Weight: | 477.41 |
| Molecular Formula: | C21 H22 Cl2 N6 O S |
| Smiles: | Cc1c(cn(CCCN2C(=Nc3ccccc3C2=O)SCn2c(C)c(c(C)n2)[Cl])n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2999 |
| logD: | 3.2999 |
| logSw: | -4.0264 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.54 |
| InChI Key: | HWCVKVZAPXGUMD-UHFFFAOYSA-N |