N-(4-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-methylpropanamide
Chemical Structure Depiction of
N-(4-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-methylpropanamide
N-(4-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-methylpropanamide
Compound characteristics
| Compound ID: | J056-0107 |
| Compound Name: | N-(4-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-methylpropanamide |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C21 H20 N4 O5 |
| Smiles: | CCC(N(C)C1C(N(CC(Nc2ccc3c(c2)OCO3)=O)c2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.875 |
| logD: | 1.875 |
| logSw: | -2.7399 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.146 |
| InChI Key: | GBUNVYGQFKFEDP-UHFFFAOYSA-N |