N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)valinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)valinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)valinamide
Compound characteristics
| Compound ID: | C548-2838 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)valinamide |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C19 H20 N4 O5 S2 |
| Smiles: | CC(C)C(C(NCc1ccc2c(c1)OCO2)=O)NS(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4407 |
| logD: | 2.4171 |
| logSw: | -2.9859 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.315 |
| InChI Key: | RGOKVPFKSFPNFU-KRWDZBQOSA-N |