methyl 5-[2-(3-ethylanilino)-2-oxoethyl]-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carboxylate
Chemical Structure Depiction of
methyl 5-[2-(3-ethylanilino)-2-oxoethyl]-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carboxylate
methyl 5-[2-(3-ethylanilino)-2-oxoethyl]-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carboxylate
Compound characteristics
| Compound ID: | C795-0027 |
| Compound Name: | methyl 5-[2-(3-ethylanilino)-2-oxoethyl]-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carboxylate |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C23 H25 N3 O4 |
| Smiles: | CCc1cccc(c1)NC(CN1C(C2CCCN2c2ccc(cc12)C(=O)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2715 |
| logD: | 3.2715 |
| logSw: | -3.3864 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.481 |
| InChI Key: | LBUYRRQBGBSUIZ-IBGZPJMESA-N |