1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D473-1915 |
| Compound Name: | 1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 472.58 |
| Molecular Formula: | C22 H24 N4 O4 S2 |
| Smiles: | COc1ccc(cc1)c1cc(C(Nc2nc3CCCCc3s2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5047 |
| logD: | 3.409 |
| logSw: | -3.8903 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.435 |
| InChI Key: | FPJSFBBELVLIOY-OAHLLOKOSA-N |