methyl 2-{[1-(pyrrolo[1,2-a]quinoxalin-4-yl)piperidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(pyrrolo[1,2-a]quinoxalin-4-yl)piperidine-4-carbonyl]amino}benzoate
methyl 2-{[1-(pyrrolo[1,2-a]quinoxalin-4-yl)piperidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E229-0111 |
| Compound Name: | methyl 2-{[1-(pyrrolo[1,2-a]quinoxalin-4-yl)piperidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C25 H24 N4 O3 |
| Smiles: | COC(c1ccccc1NC(C1CCN(CC1)c1c2cccn2c2ccccc2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4475 |
| logD: | 4.2221 |
| logSw: | -4.2823 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.725 |
| InChI Key: | QSYKRZBPXADNTG-UHFFFAOYSA-N |