N-(3,5-dimethylphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
N-(3,5-dimethylphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E977-0945 |
| Compound Name: | N-(3,5-dimethylphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C21 H25 N3 O4 S |
| Smiles: | Cc1cc(C)cc(c1)NC(CCNS(c1ccc2c(CCCC(N2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5034 |
| logD: | 2.5033 |
| logSw: | -2.9788 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.139 |
| InChI Key: | NLDCFIIASPWRFB-UHFFFAOYSA-N |