2-methyl-3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
Chemical Structure Depiction of
2-methyl-3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
2-methyl-3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
Compound characteristics
| Compound ID: | Y040-8035 |
| Compound Name: | 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate |
| Molecular Weight: | 598.63 |
| Molecular Formula: | C32 H26 N2 O8 S |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OC([C@H](Cc1ccccc1)NS(c1ccc(C)cc1)(=O)=O)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ABSOLUTE |
| logP: | 6.166 |
| logD: | 6.166 |
| logSw: | -5.5071 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.687 |
| InChI Key: | CCGZGKFTTHCIKS-NDEPHWFRSA-N |