N-(2-[(butan-2-yl)amino]-1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-[(butan-2-yl)amino]-1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-[(butan-2-yl)amino]-1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V019-3392 |
| Compound Name: | N-(2-[(butan-2-yl)amino]-1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 514.62 |
| Molecular Formula: | C26 H31 F N4 O4 S |
| Smiles: | CCC(C)NC(C(C1CCN(CC1)C(Nc1ccc(cc1)F)=S)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3861 |
| logD: | 4.3861 |
| logSw: | -4.2133 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.144 |
| InChI Key: | DAWVHXSCQFAFER-UHFFFAOYSA-N |