methyl 4-chloro-2-[(2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxaline-5(1H)-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-[(2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxaline-5(1H)-carbonyl)amino]benzoate
methyl 4-chloro-2-[(2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxaline-5(1H)-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G120-0399 |
| Compound Name: | methyl 4-chloro-2-[(2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxaline-5(1H)-carbonyl)amino]benzoate |
| Molecular Weight: | 385.85 |
| Molecular Formula: | C20 H20 Cl N3 O3 |
| Smiles: | COC(c1ccc(cc1NC(N1CC2CCCN2c2ccccc12)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1631 |
| logD: | 4.1603 |
| logSw: | -4.4538 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.775 |
| InChI Key: | MLANPUNDRCVMFK-CQSZACIVSA-N |