N-[(3-methoxyphenyl)methyl]-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
N-[(3-methoxyphenyl)methyl]-N~3~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E977-0956 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-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: | COc1cccc(CNC(CCNS(c2ccc3c(CCCC(N3)=O)c2)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.608 |
| logD: | 1.6079 |
| logSw: | -2.3714 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.005 |
| InChI Key: | CTZLFLBTWSLSGO-UHFFFAOYSA-N |