3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}propanamide
Chemical Structure Depiction of
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}propanamide
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}propanamide
Compound characteristics
| Compound ID: | Y503-3636 |
| Compound Name: | 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}propanamide |
| Molecular Weight: | 444.94 |
| Molecular Formula: | C21 H21 Cl N4 O3 S |
| Smiles: | Cc1ccc(cc1)Sc1cc(cc(c1)[N+]([O-])=O)NC(CCn1c(C)c(c(C)n1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0358 |
| logD: | 5.0355 |
| logSw: | -5.1926 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.758 |
| InChI Key: | QSDXCDPZPKKOQQ-UHFFFAOYSA-N |