N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)valinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)valinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)valinamide
Compound characteristics
| Compound ID: | G017-1109 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonyl)valinamide |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C23 H27 N3 O6 S |
| Smiles: | CC(C)C(C(NCc1ccc2c(c1)OCO2)=O)NS(c1ccc2c(CCCC(N2)=O)c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1041 |
| logD: | 2.1035 |
| logSw: | -3.0087 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.515 |
| InChI Key: | CAGJEFRGQFBHRE-QFIPXVFZSA-N |