N-{1-[1-(4-methylbenzene-1-sulfonyl)piperidin-4-yl]-2-oxo-2-[(propan-2-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{1-[1-(4-methylbenzene-1-sulfonyl)piperidin-4-yl]-2-oxo-2-[(propan-2-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide
N-{1-[1-(4-methylbenzene-1-sulfonyl)piperidin-4-yl]-2-oxo-2-[(propan-2-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V022-3131 |
| Compound Name: | N-{1-[1-(4-methylbenzene-1-sulfonyl)piperidin-4-yl]-2-oxo-2-[(propan-2-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C25 H31 N3 O6 S |
| Smiles: | CC(C)NC(C(C1CCN(CC1)S(c1ccc(C)cc1)(=O)=O)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6376 |
| logD: | 3.6376 |
| logSw: | -3.8081 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.489 |
| InChI Key: | MPUWTZOKLFUSDG-QHCPKHFHSA-N |