rel-(3R,4R)-1-(butane-1-sulfonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(butane-1-sulfonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-(butane-1-sulfonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0474 |
| Compound Name: | rel-(3R,4R)-1-(butane-1-sulfonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C12 H21 N5 O3 S |
| Smiles: | CCCCS(N1C[C@@H](C(N)=O)[C@@H](C1)c1nc(C)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.3764 |
| logD: | -0.3769 |
| logSw: | -2.0039 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.805 |
| InChI Key: | NQEOOFKCROEFBM-NXEZZACHSA-N |