4-[rel-(3R,4R)-3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-sulfonyl]-2,1,3-benzothiadiazole
Chemical Structure Depiction of
4-[rel-(3R,4R)-3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-sulfonyl]-2,1,3-benzothiadiazole
4-[rel-(3R,4R)-3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-sulfonyl]-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | S831-3529 |
| Compound Name: | 4-[rel-(3R,4R)-3-(methoxymethyl)-4-(pyridin-2-yl)pyrrolidine-1-sulfonyl]-2,1,3-benzothiadiazole |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C17 H18 N4 O3 S2 |
| Smiles: | COC[C@@H]1CN(C[C@H]1c1ccccn1)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0069 |
| logD: | 2.0068 |
| logSw: | -2.473 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.335 |
| InChI Key: | VKCIJBUPSKCIRD-QWHCGFSZSA-N |