benzyl {[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
benzyl {[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
benzyl {[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | 3570-0396 |
| Compound Name: | benzyl {[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C26 H19 N O5 S |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OCC(=O)OCc1ccccc1)=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1423 |
| logD: | 5.1423 |
| logSw: | -5.154 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.808 |
| InChI Key: | OCHCLLFTXPGDAJ-UHFFFAOYSA-N |