N-(1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-[(2-methylpropyl)amino]-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-[(2-methylpropyl)amino]-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
N-(1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-[(2-methylpropyl)amino]-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V011-3443 |
| Compound Name: | N-(1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-[(2-methylpropyl)amino]-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 514.62 |
| Molecular Formula: | C26 H31 F N4 O4 S |
| Smiles: | CC(C)CNC(C(C1CCN(CC1)C(Nc1ccc(cc1)F)=S)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2749 |
| logD: | 4.2749 |
| logSw: | -4.2024 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.702 |
| InChI Key: | GZFSBKRFTVRILR-QHCPKHFHSA-N |