(2-ethoxyphenyl)[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
Chemical Structure Depiction of
(2-ethoxyphenyl)[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
(2-ethoxyphenyl)[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
Compound characteristics
| Compound ID: | SB32-0953 |
| Compound Name: | (2-ethoxyphenyl)[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C23 H26 N4 O3 |
| Smiles: | CCOc1ccccc1C(N1C[C@@H](COC)[C@@H](C1)c1nc(c2ccccc2)n[nH]1)=O |
| Stereo: | RELATIVE |
| logP: | 3.326 |
| logD: | 3.3216 |
| logSw: | -3.6122 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.267 |
| InChI Key: | RDOQTRCXAXQIIF-PKOBYXMFSA-N |