[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl][5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrol-3-yl]methanone
Chemical Structure Depiction of
[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl][5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrol-3-yl]methanone
[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl][5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrol-3-yl]methanone
Compound characteristics
| Compound ID: | SB32-0788 |
| Compound Name: | [rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl][5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrol-3-yl]methanone |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C24 H28 F N5 O2 |
| Smiles: | Cc1c(cc(c2ccc(cc2)F)n1C)C(N1C[C@@H](COC)[C@@H](C1)c1nc(C2CC2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4172 |
| logD: | 3.416 |
| logSw: | -3.7581 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.341 |
| InChI Key: | IFTLANBXGRPUKI-FXAWDEMLSA-N |