N-(2,3-dimethylphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
N-(2,3-dimethylphenyl)-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Compound characteristics
Compound ID: | E977-0877 |
Compound Name: | N-(2,3-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: | Cc1cccc(c1C)NC(CCNS(c1ccc2c(CCCC(N2)=O)c1)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4409 |
logD: | 2.4408 |
logSw: | -2.8539 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 89.442 |
InChI Key: | MCUDTZPUGWBGFN-UHFFFAOYSA-N |