tert-butyl {[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
tert-butyl {[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate
tert-butyl {[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
Compound ID: | 3570-0505 |
Compound Name: | tert-butyl {[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate |
Molecular Weight: | 409.46 |
Molecular Formula: | C22 H19 N O5 S |
Smiles: | CC(C)(C)OC(COc1ccc2C=C(C(=O)Oc2c1)c1nc2ccccc2s1)=O |
Stereo: | ACHIRAL |
logP: | 4.6818 |
logD: | 4.6818 |
logSw: | -4.6647 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 57.376 |
InChI Key: | IOYLLOAKFREHCC-UHFFFAOYSA-N |