N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(4-methylphenyl)methyl]valinamide
Chemical Structure Depiction of
N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(4-methylphenyl)methyl]valinamide
N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(4-methylphenyl)methyl]valinamide
Compound characteristics
| Compound ID: | C548-2829 |
| Compound Name: | N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(4-methylphenyl)methyl]valinamide |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C19 H22 N4 O3 S2 |
| Smiles: | CC(C)C(C(NCc1ccc(C)cc1)=O)NS(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.951 |
| logD: | 2.9274 |
| logSw: | -3.3033 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.2 |
| InChI Key: | LXVDTMFFYMTIRM-KRWDZBQOSA-N |