N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-[2-(4-methylphenyl)ethyl]valinamide
Chemical Structure Depiction of
N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-[2-(4-methylphenyl)ethyl]valinamide
N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-[2-(4-methylphenyl)ethyl]valinamide
Compound characteristics
| Compound ID: | C646-0133 |
| Compound Name: | N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-[2-(4-methylphenyl)ethyl]valinamide |
| Molecular Weight: | 445.6 |
| Molecular Formula: | C22 H27 N3 O3 S2 |
| Smiles: | CC(C)C(C(NCCc1ccc(C)cc1)=O)NS(c1ccc2c(c1)sc(C)n2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0113 |
| logD: | 4.0111 |
| logSw: | -3.9984 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.616 |
| InChI Key: | DCNMPVLVEJYFNS-NRFANRHFSA-N |