methyl 2-{[4-(4-benzyl-3-oxo-3,4-dihydroquinoxalin-2-yl)piperazine-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[4-(4-benzyl-3-oxo-3,4-dihydroquinoxalin-2-yl)piperazine-1-carbonyl]amino}benzoate
methyl 2-{[4-(4-benzyl-3-oxo-3,4-dihydroquinoxalin-2-yl)piperazine-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | F678-0011 |
| Compound Name: | methyl 2-{[4-(4-benzyl-3-oxo-3,4-dihydroquinoxalin-2-yl)piperazine-1-carbonyl]amino}benzoate |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C28 H27 N5 O4 |
| Smiles: | COC(c1ccccc1NC(N1CCN(CC1)C1C(N(Cc2ccccc2)c2ccccc2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9191 |
| logD: | 3.9183 |
| logSw: | -4.0511 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.973 |
| InChI Key: | FATKAMQKQPJIRZ-UHFFFAOYSA-N |