N-{2-[(butan-2-yl)amino]-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{2-[(butan-2-yl)amino]-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide
N-{2-[(butan-2-yl)amino]-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V019-3403 |
| Compound Name: | N-{2-[(butan-2-yl)amino]-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C22 H32 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)NC(C(C1CCN(CC1)C(NCC)=S)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8972 |
| logD: | 2.8972 |
| logSw: | -3.4684 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.363 |
| InChI Key: | NTWCVCNUAOGINR-UHFFFAOYSA-N |