3-methoxy-4-nitro-N-[2-(phenylsulfanyl)phenyl]-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
3-methoxy-4-nitro-N-[2-(phenylsulfanyl)phenyl]-1H-pyrazole-5-carboxamide
3-methoxy-4-nitro-N-[2-(phenylsulfanyl)phenyl]-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-6064 |
| Compound Name: | 3-methoxy-4-nitro-N-[2-(phenylsulfanyl)phenyl]-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 370.38 |
| Molecular Formula: | C17 H14 N4 O4 S |
| Smiles: | COc1c(c(C(Nc2ccccc2Sc2ccccc2)=O)[nH]n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8748 |
| logD: | 3.7794 |
| logSw: | -4.224 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.973 |
| InChI Key: | BNKHNEBGVXJUCP-UHFFFAOYSA-N |