methyl 4-{[3-(2-acetamidophenyl)-2-oxoquinoxalin-1(2H)-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(2-acetamidophenyl)-2-oxoquinoxalin-1(2H)-yl]methyl}benzoate
methyl 4-{[3-(2-acetamidophenyl)-2-oxoquinoxalin-1(2H)-yl]methyl}benzoate
Compound characteristics
| Compound ID: | D384-0024 |
| Compound Name: | methyl 4-{[3-(2-acetamidophenyl)-2-oxoquinoxalin-1(2H)-yl]methyl}benzoate |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C25 H21 N3 O4 |
| Smiles: | CC(Nc1ccccc1C1C(N(Cc2ccc(cc2)C(=O)OC)c2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1271 |
| logD: | 3.127 |
| logSw: | -3.4487 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.916 |
| InChI Key: | YTJKWPLYPLXJNH-UHFFFAOYSA-N |