methyl 3-{[5-(2-methylpropyl)-4-oxo-4,5-dihydropyrazolo[1,5-a]quinoxaline-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[5-(2-methylpropyl)-4-oxo-4,5-dihydropyrazolo[1,5-a]quinoxaline-2-carbonyl]amino}benzoate
methyl 3-{[5-(2-methylpropyl)-4-oxo-4,5-dihydropyrazolo[1,5-a]quinoxaline-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | T834-1231 |
| Compound Name: | methyl 3-{[5-(2-methylpropyl)-4-oxo-4,5-dihydropyrazolo[1,5-a]quinoxaline-2-carbonyl]amino}benzoate |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C23 H22 N4 O4 |
| Smiles: | CC(C)CN1C(c2cc(C(Nc3cccc(c3)C(=O)OC)=O)nn2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.262 |
| logD: | 4.2618 |
| logSw: | -4.2769 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.241 |
| InChI Key: | UDDNVVSCMHYCAX-UHFFFAOYSA-N |