(1-{2-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-2-yl]ethyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(1-{2-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-2-yl]ethyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
(1-{2-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-2-yl]ethyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | T505-1737 |
| Compound Name: | (1-{2-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-2-yl]ethyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C20 H25 N7 O3 S2 |
| Smiles: | C1CCN(C(C1)CCn1cc(C(N2CCCC2)=O)nn1)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3192 |
| logD: | 2.3192 |
| logSw: | -2.3349 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 96.831 |
| InChI Key: | QDQVQOITOVSVJJ-OAHLLOKOSA-N |