1-ethyl-3-{[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl}-1H-indole
Chemical Structure Depiction of
1-ethyl-3-{[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl}-1H-indole
1-ethyl-3-{[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl}-1H-indole
Compound characteristics
| Compound ID: | SB34-0042 |
| Compound Name: | 1-ethyl-3-{[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl}-1H-indole |
| Molecular Weight: | 341.43 |
| Molecular Formula: | C19 H24 F N5 |
| Smiles: | CCn1cc(CN2C[C@@H](CF)[C@@H](C2)c2nc(C)n[nH]2)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1295 |
| logD: | -3.2289 |
| logSw: | -2.4207 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.33 |
| InChI Key: | XQMZVUXIFLWEDF-YOEHRIQHSA-N |