N-cycloheptyl-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
Chemical Structure Depiction of
N-cycloheptyl-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
N-cycloheptyl-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
Compound characteristics
| Compound ID: | C646-0051 |
| Compound Name: | N-cycloheptyl-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide |
| Molecular Weight: | 423.6 |
| Molecular Formula: | C20 H29 N3 O3 S2 |
| Smiles: | CC(C)C(C(NC1CCCCCC1)=O)NS(c1ccc2c(c1)sc(C)n2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6813 |
| logD: | 4.681 |
| logSw: | -4.3662 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.83 |
| InChI Key: | QVLIMKBQFKKTBK-IBGZPJMESA-N |