6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Chemical Structure Depiction of
6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Compound characteristics
| Compound ID: | Y040-3641 |
| Compound Name: | 6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate |
| Molecular Weight: | 477.96 |
| Molecular Formula: | C23 H24 Cl N O6 S |
| Smiles: | CCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC([C@H](C(C)C)NS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.9918 |
| logD: | 4.9918 |
| logSw: | -5.0763 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.706 |
| InChI Key: | YAWAJKFZIBNMOT-QFIPXVFZSA-N |