rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-(2,5-dimethoxyphenyl)-4-(fluoromethyl)pyrrolidine-1-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-(2,5-dimethoxyphenyl)-4-(fluoromethyl)pyrrolidine-1-carboxamide
rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-(2,5-dimethoxyphenyl)-4-(fluoromethyl)pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | SB34-1194 |
| Compound Name: | rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-(2,5-dimethoxyphenyl)-4-(fluoromethyl)pyrrolidine-1-carboxamide |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C22 H30 F N5 O3 |
| Smiles: | COc1ccc(c(c1)NC(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CCCCC2)n[nH]1)=O)OC |
| Stereo: | RELATIVE |
| logP: | 3.7009 |
| logD: | 3.6993 |
| logSw: | -4.0248 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.122 |
| InChI Key: | DWPNCXNAOSGOLG-RDJZCZTQSA-N |