rel-(3R,4R)-1-[3-(3-methoxyphenyl)propanoyl]-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[3-(3-methoxyphenyl)propanoyl]-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[3-(3-methoxyphenyl)propanoyl]-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0654 |
| Compound Name: | rel-(3R,4R)-1-[3-(3-methoxyphenyl)propanoyl]-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 371.44 |
| Molecular Formula: | C19 H25 N5 O3 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2C(NC)=O)C(CCc2cccc(c2)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6436 |
| logD: | 0.643 |
| logSw: | -2.1659 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.369 |
| InChI Key: | JTXKTWLEJZQSCZ-HOTGVXAUSA-N |