N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 5298-5709 |
| Compound Name: | N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide |
| Molecular Weight: | 416.49 |
| Molecular Formula: | C21 H24 N2 O5 S |
| Smiles: | CC1(C)CC(c2c(C1)nc(NC(/C=C/c1cc(c(c(c1)OC)OC)OC)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7405 |
| logD: | 3.5099 |
| logSw: | -4.0895 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.81 |
| InChI Key: | ORTSGKDZYRPQHC-UHFFFAOYSA-N |