N-(6-methyl-1,3-benzothiazol-2-yl)-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
Chemical Structure Depiction of
N-(6-methyl-1,3-benzothiazol-2-yl)-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
N-(6-methyl-1,3-benzothiazol-2-yl)-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
Compound characteristics
| Compound ID: | C597-0162 |
| Compound Name: | N-(6-methyl-1,3-benzothiazol-2-yl)-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide |
| Molecular Weight: | 520.63 |
| Molecular Formula: | C26 H24 N4 O4 S2 |
| Smiles: | Cc1ccc2c(c1)sc(NC(C(Cc1ccccc1)NS(c1ccc3c(CCC(N3)=O)c1)(=O)=O)=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7134 |
| logD: | 4.712 |
| logSw: | -4.4332 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.514 |
| InChI Key: | TYQXARZRJVRRBF-QFIPXVFZSA-N |