3-(3,4-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
3-(3,4-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
Compound characteristics
| Compound ID: | 5298-1671 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C20 H22 N2 O4 S |
| Smiles: | CC1(C)CC(c2c(C1)nc(NC(/C=C/c1ccc(c(c1)OC)OC)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9022 |
| logD: | 3.6716 |
| logSw: | -4.1811 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.093 |
| InChI Key: | JYMUSQOPSQDWCD-UHFFFAOYSA-N |