3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-{[(3-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-{[(3-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-{[(3-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y503-4611 |
| Compound Name: | 3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-{[(3-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 473.94 |
| Molecular Formula: | C20 H20 Cl N7 O3 S |
| Smiles: | Cc1c(c(C)n(CCCN2C(=Nc3ccccc3C2=O)SCn2ccc(n2)[N+]([O-])=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.3077 |
| logD: | 2.3077 |
| logSw: | -3.5366 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.915 |
| InChI Key: | GWCDQVRLPOCLDQ-UHFFFAOYSA-N |