N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2,3-dioxo-4-(prop-2-en-1-yl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2,3-dioxo-4-(prop-2-en-1-yl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2,3-dioxo-4-(prop-2-en-1-yl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | L059-0489 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2,3-dioxo-4-(prop-2-en-1-yl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}benzamide |
| Molecular Weight: | 469.5 |
| Molecular Formula: | C27 H23 N3 O5 |
| Smiles: | C=CCN1C(C(N(Cc2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4859 |
| logD: | 3.4859 |
| logSw: | -3.7162 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.302 |
| InChI Key: | QJFWKMGXIMXZLR-UHFFFAOYSA-N |