N-{2-oxo-1-[1-(propane-2-sulfonyl)piperidin-4-yl]-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{2-oxo-1-[1-(propane-2-sulfonyl)piperidin-4-yl]-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide
N-{2-oxo-1-[1-(propane-2-sulfonyl)piperidin-4-yl]-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V008-9687 |
| Compound Name: | N-{2-oxo-1-[1-(propane-2-sulfonyl)piperidin-4-yl]-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C21 H29 N3 O6 S |
| Smiles: | CC(C)S(N1CCC(CC1)C(C(NCC=C)=O)NC(c1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8704 |
| logD: | 1.8704 |
| logSw: | -2.6358 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.628 |
| InChI Key: | NUHNTDVNLQGACL-IBGZPJMESA-N |