rel-(3R,4R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0117 |
| Compound Name: | rel-(3R,4R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 334.4 |
| Molecular Formula: | C14 H18 N6 O2 S |
| Smiles: | Cc1c(C(N2C[C@@H](C(N)=O)[C@@H](C2)c2nc(C)n[nH]2)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1467 |
| logD: | -0.1472 |
| logSw: | -1.9188 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.965 |
| InChI Key: | YNVHSGACFZGPQR-NXEZZACHSA-N |