rel-(3R,4R)-N-(2-chloro-4-methylphenyl)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidine-1-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-N-(2-chloro-4-methylphenyl)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidine-1-carboxamide
rel-(3R,4R)-N-(2-chloro-4-methylphenyl)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | SB34-1193 |
| Compound Name: | rel-(3R,4R)-N-(2-chloro-4-methylphenyl)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidine-1-carboxamide |
| Molecular Weight: | 419.93 |
| Molecular Formula: | C21 H27 Cl F N5 O |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CCCCC2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.7413 |
| logD: | 4.7397 |
| logSw: | -4.8467 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.948 |
| InChI Key: | QDEBURPDVSCFIP-HZPDHXFCSA-N |