N-[1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxo-2-(piperidin-1-yl)ethyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxo-2-(piperidin-1-yl)ethyl]-2H-1,3-benzodioxole-5-carboxamide
N-[1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxo-2-(piperidin-1-yl)ethyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V005-9997 |
| Compound Name: | N-[1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxo-2-(piperidin-1-yl)ethyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 526.63 |
| Molecular Formula: | C27 H31 F N4 O4 S |
| Salt: | not_available |
| Smiles: | C1CCN(CC1)C(C(C1CCN(CC1)C(Nc1ccc(cc1)F)=S)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1516 |
| logD: | 4.1516 |
| logSw: | -4.2468 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.666 |
| InChI Key: | QWCNKIGOTRTXHF-DEOSSOPVSA-N |