(5-chloro-2-fluorophenyl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
Chemical Structure Depiction of
(5-chloro-2-fluorophenyl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
(5-chloro-2-fluorophenyl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
Compound characteristics
| Compound ID: | SB34-1256 |
| Compound Name: | (5-chloro-2-fluorophenyl)[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone |
| Molecular Weight: | 340.76 |
| Molecular Formula: | C15 H15 Cl F2 N4 O |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2CF)C(c2cc(ccc2F)[Cl])=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9727 |
| logD: | 1.9722 |
| logSw: | -3.1239 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.517 |
| InChI Key: | LNULLWHBFVZJJN-BXKDBHETSA-N |