rel-(3R,4R)-1-(4-cyanobenzene-1-sulfonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(4-cyanobenzene-1-sulfonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-(4-cyanobenzene-1-sulfonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0503 |
| Compound Name: | rel-(3R,4R)-1-(4-cyanobenzene-1-sulfonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C15 H16 N6 O3 S |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2C(N)=O)S(c2ccc(C#N)cc2)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.275 |
| logD: | -0.2755 |
| logSw: | -2.4347 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.695 |
| InChI Key: | OZWVFMSIHIRXDB-CHWSQXEVSA-N |