N-{1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide
N-{1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V028-8020 |
| Compound Name: | N-{1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-[(prop-2-en-1-yl)amino]ethyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 483.95 |
| Molecular Formula: | C25 H26 Cl N3 O5 |
| Smiles: | C=CCNC(C(C1CCN(CC1)C(c1ccc(cc1)[Cl])=O)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9608 |
| logD: | 2.9608 |
| logSw: | -3.7029 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.294 |
| InChI Key: | VYMCWOQYHOZCSR-QFIPXVFZSA-N |