3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
Chemical Structure Depiction of
3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
Compound characteristics
| Compound ID: | Y041-2452 |
| Compound Name: | 3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate |
| Molecular Weight: | 546.43 |
| Molecular Formula: | C26 H21 Cl2 N O6 S |
| Smiles: | CC1=C(C(=O)Oc2cc(c(cc12)[Cl])OC([C@H](Cc1ccccc1)NS(c1ccc(C)cc1)(=O)=O)=O)[Cl] |
| Stereo: | ABSOLUTE |
| logP: | 6.0214 |
| logD: | 6.0214 |
| logSw: | -6.0225 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.227 |
| InChI Key: | BDTRSVYPWRFDQD-NRFANRHFSA-N |