6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
Chemical Structure Depiction of
6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
Compound characteristics
| Compound ID: | Y041-1607 |
| Compound Name: | 6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate |
| Molecular Weight: | 491.99 |
| Molecular Formula: | C24 H26 Cl N O6 S |
| Smiles: | CC1=C(C)c2cc(c(cc2OC1=O)OC(CCCCCNS(c1ccc(C)cc1)(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2074 |
| logD: | 5.2073 |
| logSw: | -5.5401 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.901 |
| InChI Key: | BPXURWLJICKTNJ-UHFFFAOYSA-N |