3-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Chemical Structure Depiction of
3-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
3-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
| Compound ID: | E213-0551 |
| Compound Name: | 3-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 460.57 |
| Molecular Formula: | C21 H24 N4 O4 S2 |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2567 |
| logD: | 1.256 |
| logSw: | -2.2196 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.48 |
| InChI Key: | IYZLZJLKXQRBHS-UHFFFAOYSA-N |