N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4185 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C17 H18 N6 O4 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CSc1c(c(C)n[nH]1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.755 |
| logD: | 0.7126 |
| logSw: | -1.9512 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.747 |
| InChI Key: | ZGDUNCVCEJPGSC-UHFFFAOYSA-N |