N-(2-methoxy-5-methylphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
Chemical Structure Depiction of
N-(2-methoxy-5-methylphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
N-(2-methoxy-5-methylphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
Compound characteristics
| Compound ID: | C646-0222 |
| Compound Name: | N-(2-methoxy-5-methylphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide |
| Molecular Weight: | 447.57 |
| Molecular Formula: | C21 H25 N3 O4 S2 |
| Smiles: | CC(C)C(C(Nc1cc(C)ccc1OC)=O)NS(c1ccc2c(c1)sc(C)n2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9898 |
| logD: | 3.989 |
| logSw: | -4.0523 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.384 |
| InChI Key: | IQMNPPIDTHEZPH-FQEVSTJZSA-N |