3-[3-(4-chloro-3-methyl-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-methyl-1H-pyrazol-1-yl)propyl]-2-{[(3-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-{[(3-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y503-4291 |
| Compound Name: | 3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-{[(3-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 459.91 |
| Molecular Formula: | C19 H18 Cl N7 O3 S |
| Smiles: | Cc1c(cn(CCCN2C(=Nc3ccccc3C2=O)SCn2ccc(n2)[N+]([O-])=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.1006 |
| logD: | 2.1005 |
| logSw: | -3.096 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.492 |
| InChI Key: | IJVHSWNMMANOCC-UHFFFAOYSA-N |