rel-(3R,4R)-1-(2,2-dimethylpropanoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(2,2-dimethylpropanoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-(2,2-dimethylpropanoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0232 |
| Compound Name: | rel-(3R,4R)-1-(2,2-dimethylpropanoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 279.34 |
| Molecular Formula: | C13 H21 N5 O2 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2C(N)=O)C(C(C)(C)C)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1161 |
| logD: | -0.1165 |
| logSw: | -1.4367 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.848 |
| InChI Key: | VAGGEMMUCBEDJK-RKDXNWHRSA-N |