[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](3-methylphenyl)methanone
Chemical Structure Depiction of
[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](3-methylphenyl)methanone
[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](3-methylphenyl)methanone
Compound characteristics
| Compound ID: | SB34-1016 |
| Compound Name: | [rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](3-methylphenyl)methanone |
| Molecular Weight: | 328.39 |
| Molecular Formula: | C18 H21 F N4 O |
| Smiles: | Cc1cccc(c1)C(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CC2)n[nH]1)=O |
| Stereo: | RELATIVE |
| logP: | 2.3006 |
| logD: | 2.2988 |
| logSw: | -2.812 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.156 |
| InChI Key: | NRCISUIYBDBUOB-GJZGRUSLSA-N |