N-[(4-ethoxyphenyl)methyl]-N~2~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)valinamide
Chemical Structure Depiction of
N-[(4-ethoxyphenyl)methyl]-N~2~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)valinamide
N-[(4-ethoxyphenyl)methyl]-N~2~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)valinamide
Compound characteristics
| Compound ID: | G017-1235 |
| Compound Name: | N-[(4-ethoxyphenyl)methyl]-N~2~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)valinamide |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C24 H31 N3 O5 S |
| Smiles: | CCOc1ccc(CNC(C(C(C)C)NS(c2ccc3c(CCCC(N3)=O)c2)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5599 |
| logD: | 2.5594 |
| logSw: | -3.022 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.523 |
| InChI Key: | CCTJULLHBGRBHJ-QHCPKHFHSA-N |