N-[2-oxo-2-(propylamino)-1-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}ethyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[2-oxo-2-(propylamino)-1-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}ethyl]-2H-1,3-benzodioxole-5-carboxamide
N-[2-oxo-2-(propylamino)-1-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}ethyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V022-3143 |
| Compound Name: | N-[2-oxo-2-(propylamino)-1-{1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl}ethyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 519.52 |
| Molecular Formula: | C26 H28 F3 N3 O5 |
| Smiles: | CCCNC(C(C1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)=O)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5498 |
| logD: | 3.5498 |
| logSw: | -3.6987 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.294 |
| InChI Key: | WWHSQHSEKVWLRL-QFIPXVFZSA-N |