[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl][rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
Chemical Structure Depiction of
[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl][rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl][rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
Compound characteristics
| Compound ID: | SB32-0934 |
| Compound Name: | [1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl][rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C24 H31 N5 O3 |
| Smiles: | Cc1cc(C(N2C[C@@H](COC)[C@@H](C2)c2nc(c3ccccc3)n[nH]2)=O)c(C)n1CCOC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6215 |
| logD: | 2.6171 |
| logSw: | -3.2674 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.571 |
| InChI Key: | XWFRZMFIKSPZCH-PZJWPPBQSA-N |