N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}-2-(4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}-2-(4-nitro-1H-pyrazol-1-yl)butanamide
N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}-2-(4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | Y501-5894 |
| Compound Name: | N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}-2-(4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C20 H19 N5 O5 S |
| Smiles: | CCC(C(Nc1cc(cc(c1)Sc1ccc(C)cc1)[N+]([O-])=O)=O)n1cc(cn1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8115 |
| logD: | 4.8111 |
| logSw: | -4.4335 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.987 |
| InChI Key: | QKERFVMHUQRPLT-IBGZPJMESA-N |