1-methyl-N-[3-(methylsulfanyl)phenyl]-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
1-methyl-N-[3-(methylsulfanyl)phenyl]-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide
1-methyl-N-[3-(methylsulfanyl)phenyl]-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | M461-1638 |
| Compound Name: | 1-methyl-N-[3-(methylsulfanyl)phenyl]-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C16 H20 N4 O3 S3 |
| Smiles: | Cn1cc(C(Nc2cccc(c2)SC)=O)c(n1)S(N1CCSCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6971 |
| logD: | 1.6961 |
| logSw: | -2.7209 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.171 |
| InChI Key: | LQBAJLDORPQXPL-UHFFFAOYSA-N |