2-(1,3-benzothiazol-2(3H)-ylidene)-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2(3H)-ylidene)-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile
2-(1,3-benzothiazol-2(3H)-ylidene)-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile
Compound characteristics
| Compound ID: | 2513-0175 |
| Compound Name: | 2-(1,3-benzothiazol-2(3H)-ylidene)-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C19 H16 N2 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(C(\C#N)=C1/Nc2ccccc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4141 |
| logD: | 3.4138 |
| logSw: | -3.9141 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.684 |
| InChI Key: | UPUSTWQLTMQCSH-UHFFFAOYSA-N |