N-[3-nitro-5-(phenylsulfanyl)phenyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[3-nitro-5-(phenylsulfanyl)phenyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide
N-[3-nitro-5-(phenylsulfanyl)phenyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | 2123-0011 |
| Compound Name: | N-[3-nitro-5-(phenylsulfanyl)phenyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 492.56 |
| Molecular Formula: | C28 H20 N4 O3 S |
| Smiles: | c1ccc(cc1)c1c(cn(c2ccccc2)n1)C(Nc1cc(cc(c1)Sc1ccccc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5808 |
| logD: | 6.5807 |
| logSw: | -6.0826 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.072 |
| InChI Key: | HIEBHIONCCXQED-UHFFFAOYSA-N |