rel-(3R,4R)-1-(1-ethyl-1H-pyrazole-4-sulfonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(1-ethyl-1H-pyrazole-4-sulfonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-(1-ethyl-1H-pyrazole-4-sulfonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0504 |
| Compound Name: | rel-(3R,4R)-1-(1-ethyl-1H-pyrazole-4-sulfonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 353.4 |
| Molecular Formula: | C13 H19 N7 O3 S |
| Smiles: | CCn1cc(cn1)S(N1C[C@@H](C(N)=O)[C@@H](C1)c1nc(C)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -1.4737 |
| logD: | -1.4741 |
| logSw: | -1.9673 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.141 |
| InChI Key: | JBPHPNRAHOOBEL-GHMZBOCLSA-N |