N-(2,5-dimethoxyphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
N-(2,5-dimethoxyphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E977-0928 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C21 H25 N3 O6 S |
| Smiles: | COc1ccc(c(c1)NC(CCNS(c1ccc2c(CCCC(N2)=O)c1)(=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.4938 |
| logD: | 1.4902 |
| logSw: | -2.377 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.616 |
| InChI Key: | NLJBKSFFXGWKSE-UHFFFAOYSA-N |