3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(propan-2-yl)-4H-1-benzopyran-7-yl 3,4-dimethoxybenzoate
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(propan-2-yl)-4H-1-benzopyran-7-yl 3,4-dimethoxybenzoate
3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(propan-2-yl)-4H-1-benzopyran-7-yl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | 5084-0009 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(propan-2-yl)-4H-1-benzopyran-7-yl 3,4-dimethoxybenzoate |
| Molecular Weight: | 515.58 |
| Molecular Formula: | C29 H25 N O6 S |
| Smiles: | CC(C)C1=C(C(c2ccc(c(C)c2O1)OC(c1ccc(c(c1)OC)OC)=O)=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.123 |
| logD: | 6.123 |
| logSw: | -5.5498 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.408 |
| InChI Key: | RDCYUOWNCJEYLM-UHFFFAOYSA-N |