2-methyl-N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}-3-(4-nitro-1H-pyrazol-1-yl)propanamide
Chemical Structure Depiction of
2-methyl-N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}-3-(4-nitro-1H-pyrazol-1-yl)propanamide
2-methyl-N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}-3-(4-nitro-1H-pyrazol-1-yl)propanamide
Compound characteristics
| Compound ID: | Y501-5317 |
| Compound Name: | 2-methyl-N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}-3-(4-nitro-1H-pyrazol-1-yl)propanamide |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C20 H19 N5 O5 S |
| Smiles: | CC(Cn1cc(cn1)[N+]([O-])=O)C(Nc1cc(cc(c1)Sc1ccc(C)cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3409 |
| logD: | 4.3403 |
| logSw: | -4.1534 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.598 |
| InChI Key: | DXWNGNDHSAGTBR-AWEZNQCLSA-N |