N-[(3-methoxyphenyl)methyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
N-[(3-methoxyphenyl)methyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
Compound characteristics
| Compound ID: | C597-0125 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C26 H27 N3 O5 S |
| Smiles: | COc1cccc(CNC(C(Cc2ccccc2)NS(c2ccc3c(CCC(N3)=O)c2)(=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8237 |
| logD: | 2.8224 |
| logSw: | -3.6336 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.618 |
| InChI Key: | JAQSQZNNLMVHKE-DEOSSOPVSA-N |