rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | SB34-1196 |
| Compound Name: | rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C21 H28 F N5 O2 |
| Smiles: | COc1cccc(c1)NC(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CCCCC2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6879 |
| logD: | 3.6863 |
| logSw: | -3.9867 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.19 |
| InChI Key: | PCTYBEZIVBFYPQ-YJBOKZPZSA-N |