dimethyl 5-[(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | E213-0511 |
| Compound Name: | dimethyl 5-[(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C23 H23 N3 O6 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(Nc1cc(cc(c1)C(=O)OC)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6542 |
| logD: | 3.6423 |
| logSw: | -4.1311 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.061 |
| InChI Key: | POZDFTHOAWWAST-UHFFFAOYSA-N |