rel-(3R,4R)-1-[4-(1,3-benzothiazol-2-yl)butanoyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-(1,3-benzothiazol-2-yl)butanoyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-(1,3-benzothiazol-2-yl)butanoyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0226 |
| Compound Name: | rel-(3R,4R)-1-[4-(1,3-benzothiazol-2-yl)butanoyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 398.49 |
| Molecular Formula: | C19 H22 N6 O2 S |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2C(N)=O)C(CCCc2nc3ccccc3s2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0944 |
| logD: | 1.094 |
| logSw: | -2.3178 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.265 |
| InChI Key: | ZINAQJHOUTZXER-CHWSQXEVSA-N |