N-[2-(4-methylphenyl)ethyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
Chemical Structure Depiction of
N-[2-(4-methylphenyl)ethyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
N-[2-(4-methylphenyl)ethyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
Compound characteristics
| Compound ID: | C597-0105 |
| Compound Name: | N-[2-(4-methylphenyl)ethyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C27 H29 N3 O4 S |
| Smiles: | Cc1ccc(CCNC(C(Cc2ccccc2)NS(c2ccc3c(CCC(N3)=O)c2)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3234 |
| logD: | 3.322 |
| logSw: | -3.6743 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.916 |
| InChI Key: | BJDFJOOOGMIPBX-VWLOTQADSA-N |