4-{[2,3-dioxo-4-(prop-2-en-1-yl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[2,3-dioxo-4-(prop-2-en-1-yl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}benzoic acid
4-{[2,3-dioxo-4-(prop-2-en-1-yl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}benzoic acid
Compound characteristics
| Compound ID: | C800-1257 |
| Compound Name: | 4-{[2,3-dioxo-4-(prop-2-en-1-yl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}benzoic acid |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C19 H16 N2 O4 |
| Smiles: | C=CCN1C(C(N(Cc2ccc(cc2)C(O)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9241 |
| logD: | -0.0474 |
| logSw: | -3.2171 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.181 |
| InChI Key: | JLDVIDBFPVRWSA-UHFFFAOYSA-N |