[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl][1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
Chemical Structure Depiction of
[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl][1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl][1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
Compound characteristics
| Compound ID: | SB34-0487 |
| Compound Name: | [rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl][1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C24 H30 F N5 O2 |
| Smiles: | Cc1cc(C(N2C[C@@H](CF)[C@@H](C2)c2nc(c3ccccc3)n[nH]2)=O)c(C)n1CCCOC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7748 |
| logD: | 2.7704 |
| logSw: | -3.3623 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.147 |
| InChI Key: | IDQQMKXZQHFIRL-FPOVZHCZSA-N |