(2H-1,3-benzodioxol-5-yl)[3-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)[3-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
(2H-1,3-benzodioxol-5-yl)[3-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
Compound characteristics
| Compound ID: | T629-1439 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)[3-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone |
| Molecular Weight: | 328.37 |
| Molecular Formula: | C17 H20 N4 O3 |
| Smiles: | CCc1nnc(C2CCCN(C2)C(c2ccc3c(c2)OCO3)=O)[nH]1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.457 |
| logD: | 1.4549 |
| logSw: | -2.1533 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.711 |
| InChI Key: | MJTUAEHZQWKPDA-LBPRGKRZSA-N |