2-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide
Chemical Structure Depiction of
2-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide
2-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide
Compound characteristics
| Compound ID: | K906-5116 |
| Compound Name: | 2-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide |
| Molecular Weight: | 462.56 |
| Molecular Formula: | C23 H30 N2 O6 S |
| Smiles: | CCOc1cc(CNS(c2ccc3c(CCCC(N3)=O)c2)(=O)=O)cc(c1OCC)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.926 |
| logD: | 2.9259 |
| logSw: | -3.4872 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.866 |
| InChI Key: | PHSOIFMIIWKXTC-UHFFFAOYSA-N |