N-[(4-chlorophenyl)methyl]-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
N-[(4-chlorophenyl)methyl]-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
Compound characteristics
| Compound ID: | C646-0281 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide |
| Molecular Weight: | 451.99 |
| Molecular Formula: | C20 H22 Cl N3 O3 S2 |
| Smiles: | CC(C)C(C(NCc1ccc(cc1)[Cl])=O)NS(c1ccc2c(c1)sc(C)n2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0091 |
| logD: | 4.0086 |
| logSw: | -4.3799 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.774 |
| InChI Key: | FBMXLXXDUCYPDO-IBGZPJMESA-N |