methyl 3-[(2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxaline-5(1H)-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxaline-5(1H)-carbonyl)amino]benzoate
methyl 3-[(2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxaline-5(1H)-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G120-0432 |
| Compound Name: | methyl 3-[(2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxaline-5(1H)-carbonyl)amino]benzoate |
| Molecular Weight: | 351.4 |
| Molecular Formula: | C20 H21 N3 O3 |
| Smiles: | COC(c1cccc(c1)NC(N1CC2CCCN2c2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8191 |
| logD: | 3.8191 |
| logSw: | -3.9515 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.472 |
| InChI Key: | RYSXDBJUHNWPBK-MRXNPFEDSA-N |