rel-(3R,4R)-1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0186 |
| Compound Name: | rel-(3R,4R)-1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 388.47 |
| Molecular Formula: | C19 H28 N6 O3 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2C(N)=O)C(c2cc(C)n(CCCOC)c2C)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.306 |
| logD: | -0.3064 |
| logSw: | -1.8333 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.09 |
| InChI Key: | CMPUSCUFGSVAQN-HZPDHXFCSA-N |