(3,4-dimethylphenyl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
Chemical Structure Depiction of
(3,4-dimethylphenyl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
(3,4-dimethylphenyl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
Compound characteristics
| Compound ID: | SB34-1237 |
| Compound Name: | (3,4-dimethylphenyl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone |
| Molecular Weight: | 316.38 |
| Molecular Formula: | C17 H21 F N4 O |
| Smiles: | Cc1ccc(cc1C)C(N1C[C@@H](CF)[C@@H](C1)c1nc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9444 |
| logD: | 1.9439 |
| logSw: | -2.5853 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.517 |
| InChI Key: | UROFJDZHRWCKEB-GJZGRUSLSA-N |