N-[(2H-1,3-benzodioxol-5-yl)methyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
Compound characteristics
| Compound ID: | C597-0078 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide |
| Molecular Weight: | 507.56 |
| Molecular Formula: | C26 H25 N3 O6 S |
| Smiles: | C1Cc2cc(ccc2NC1=O)S(NC(Cc1ccccc1)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6395 |
| logD: | 2.6382 |
| logSw: | -3.1951 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.19 |
| InChI Key: | VZZCPUPBEJIWMS-QFIPXVFZSA-N |