1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methoxyphenyl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methoxyphenyl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide
1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methoxyphenyl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D473-1919 |
| Compound Name: | 1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methoxyphenyl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C18 H19 N5 O4 S3 |
| Smiles: | COc1ccc(cc1)c1cc(C(Nc2nnc(SC)s2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8054 |
| logD: | 2.8018 |
| logSw: | -3.6348 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.873 |
| InChI Key: | OZICTMYVSJLLGX-GFCCVEGCSA-N |