N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
Chemical Structure Depiction of
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
Compound characteristics
| Compound ID: | C597-0206 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide |
| Molecular Weight: | 521.59 |
| Molecular Formula: | C27 H27 N3 O6 S |
| Smiles: | C1Cc2cc(ccc2NC1=O)S(NC(Cc1ccccc1)C(NCC1COc2ccccc2O1)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9151 |
| logD: | 2.9137 |
| logSw: | -3.5142 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.754 |
| InChI Key: | VDCTVRUXGUFWED-UHFFFAOYSA-N |