3-(1,3-benzothiazol-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-one
3-(1,3-benzothiazol-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | 8015-7202 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-(3,4-dimethoxyphenyl)propan-1-one |
| Molecular Weight: | 327.4 |
| Molecular Formula: | C18 H17 N O3 S |
| Smiles: | COc1ccc(cc1OC)C(CCc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1077 |
| logD: | 4.1077 |
| logSw: | -4.4392 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.69 |
| InChI Key: | IJIVCWQFPSYAIJ-UHFFFAOYSA-N |