N-(5-chloro-2,4-dimethoxyphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
N-(5-chloro-2,4-dimethoxyphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
Compound characteristics
| Compound ID: | C646-0046 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide |
| Molecular Weight: | 498.02 |
| Molecular Formula: | C21 H24 Cl N3 O5 S2 |
| Smiles: | CC(C)C(C(Nc1cc(c(cc1OC)OC)[Cl])=O)NS(c1ccc2c(c1)sc(C)n2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4518 |
| logD: | 4.2846 |
| logSw: | -4.5291 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.015 |
| InChI Key: | DVYBWOOFUQMZFK-FQEVSTJZSA-N |