3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y503-4340 |
| Compound Name: | 3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 469.95 |
| Molecular Formula: | C22 H20 Cl N5 O3 S |
| Smiles: | Cc1c(cn(CCCN2C(=Nc3ccccc3C2=O)SCc2cccc(c2)[N+]([O-])=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8357 |
| logD: | 3.8357 |
| logSw: | -4.2248 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.24 |
| InChI Key: | KGSROYGZUXVRPV-UHFFFAOYSA-N |