N-[1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxo-2-(pyrrolidin-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-(pyrrolidin-1-yl)ethyl]-2H-1,3-benzodioxole-5-carboxamide
N-[1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V019-3346 |
| Compound Name: | N-[1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 512.6 |
| Molecular Formula: | C26 H29 F N4 O4 S |
| Salt: | not_available |
| Smiles: | C1CCN(C1)C(C(C1CCN(CC1)C(Nc1ccc(cc1)F)=S)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9363 |
| logD: | 3.9363 |
| logSw: | -4.1527 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.032 |
| InChI Key: | DCQBHJBSLWHMMD-QHCPKHFHSA-N |