N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{4-[(4-methylphenyl)methyl]-2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl}propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{4-[(4-methylphenyl)methyl]-2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{4-[(4-methylphenyl)methyl]-2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl}propanamide
Compound characteristics
| Compound ID: | L058-0796 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{4-[(4-methylphenyl)methyl]-2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl}propanamide |
| Molecular Weight: | 471.51 |
| Molecular Formula: | C27 H25 N3 O5 |
| Smiles: | Cc1ccc(CN2C(C(N(CCC(NCc3ccc4c(c3)OCO4)=O)c3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7112 |
| logD: | 3.7112 |
| logSw: | -3.8498 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.089 |
| InChI Key: | YRORGNXQWOPMGX-UHFFFAOYSA-N |