3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate
Chemical Structure Depiction of
3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate
3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate
Compound characteristics
| Compound ID: | Y040-4489 |
| Compound Name: | 3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate |
| Molecular Weight: | 470.33 |
| Molecular Formula: | C20 H17 Cl2 N O6 S |
| Smiles: | CC1=C(C(=O)Oc2cc(c(cc12)[Cl])OC([C@H](C)NS(c1ccc(C)cc1)(=O)=O)=O)[Cl] |
| Stereo: | ABSOLUTE |
| logP: | 4.4979 |
| logD: | 4.4978 |
| logSw: | -4.7837 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.031 |
| InChI Key: | SPCKRHORFFEAQV-LBPRGKRZSA-N |