N-{2-[(butan-2-yl)amino]-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{2-[(butan-2-yl)amino]-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide
N-{2-[(butan-2-yl)amino]-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V018-9968 |
| Compound Name: | N-{2-[(butan-2-yl)amino]-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 499.99 |
| Molecular Formula: | C26 H30 Cl N3 O5 |
| Smiles: | CCC(C)NC(C(C1CCN(CC1)C(c1ccc(cc1)[Cl])=O)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8276 |
| logD: | 3.8276 |
| logSw: | -4.4646 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.894 |
| InChI Key: | DSABIGANDSBMMN-UHFFFAOYSA-N |