N-{1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxo-2-(piperidin-1-yl)ethyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxo-2-(piperidin-1-yl)ethyl}-2H-1,3-benzodioxole-5-carboxamide
N-{1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxo-2-(piperidin-1-yl)ethyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V026-0871 |
| Compound Name: | N-{1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxo-2-(piperidin-1-yl)ethyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C23 H32 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCNC(N1CCC(CC1)C(C(N1CCCCC1)=O)NC(c1ccc2c(c1)OCO2)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6627 |
| logD: | 2.6627 |
| logSw: | -3.0876 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.885 |
| InChI Key: | WRGXAMJDRKIMAS-FQEVSTJZSA-N |