N-(4-ethoxyphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
N-(4-ethoxyphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E977-0902 |
| Compound Name: | N-(4-ethoxyphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C21 H25 N3 O5 S |
| Smiles: | CCOc1ccc(cc1)NC(CCNS(c1ccc2c(CCCC(N2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1794 |
| logD: | 2.1793 |
| logSw: | -2.953 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.263 |
| InChI Key: | SSHGLKZRMGXAEL-UHFFFAOYSA-N |