N-{4-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole-1-sulfonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole-1-sulfonyl]phenyl}acetamide
N-{4-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole-1-sulfonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | 2332-1967 |
| Compound Name: | N-{4-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole-1-sulfonyl]phenyl}acetamide |
| Molecular Weight: | 401.5 |
| Molecular Formula: | C19 H19 N3 O3 S2 |
| Smiles: | CC(Nc1ccc(cc1)S(n1c(C)c(c(C)n1)Sc1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7302 |
| logD: | 2.7301 |
| logSw: | -3.3779 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.849 |
| InChI Key: | AAMDOSLAPOSDBQ-UHFFFAOYSA-N |