methyl 4-[(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)amino]benzoate
methyl 4-[(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | E213-0602 |
| Compound Name: | methyl 4-[(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)amino]benzoate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2561 |
| logD: | 3.2159 |
| logSw: | -3.6349 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.887 |
| InChI Key: | ROYCENUFFOSPBV-UHFFFAOYSA-N |