N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(butan-2-yl)-5-oxoprolinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(butan-2-yl)-5-oxoprolinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(butan-2-yl)-5-oxoprolinamide
Compound characteristics
| Compound ID: | K786-5313 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(butan-2-yl)-5-oxoprolinamide |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C17 H22 N2 O4 |
| Smiles: | CCC(C)N1C(CCC1=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6235 |
| logD: | 1.6235 |
| logSw: | -2.1849 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.12 |
| InChI Key: | QMYKOBWFYJNVCQ-UHFFFAOYSA-N |