6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
Chemical Structure Depiction of
6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
Compound characteristics
| Compound ID: | Y040-4504 |
| Compound Name: | 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate |
| Molecular Weight: | 449.91 |
| Molecular Formula: | C21 H20 Cl N O6 S |
| Smiles: | CCC(C(=O)Oc1cc2c(cc1[Cl])C(C)=CC(=O)O2)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4114 |
| logD: | 4.4114 |
| logSw: | -4.6738 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.984 |
| InChI Key: | GXXSPZSFDVGBSE-KRWDZBQOSA-N |