N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide
N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E977-0918 |
| Compound Name: | N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C22 H27 N3 O7 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CCNS(c1ccc2c(CCCC(N2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.191 |
| logD: | 1.1884 |
| logSw: | -2.3149 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.117 |
| InChI Key: | WDKQKHRCZXYONP-UHFFFAOYSA-N |