N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(diethylamino)-2-methylphenyl]valinamide
Chemical Structure Depiction of
N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(diethylamino)-2-methylphenyl]valinamide
N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(diethylamino)-2-methylphenyl]valinamide
Compound characteristics
| Compound ID: | C548-2971 |
| Compound Name: | N~2~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(diethylamino)-2-methylphenyl]valinamide |
| Molecular Weight: | 475.63 |
| Molecular Formula: | C22 H29 N5 O3 S2 |
| Smiles: | CCN(CC)c1ccc(c(C)c1)NC(C(C(C)C)NS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0433 |
| logD: | 3.8249 |
| logSw: | -3.9205 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.916 |
| InChI Key: | MJQZJCSRXFYZFS-FQEVSTJZSA-N |