methyl 4-[(1,3-benzothiazol-2(3H)-ylidene)(cyano)acetyl]benzoate
Chemical Structure Depiction of
methyl 4-[(1,3-benzothiazol-2(3H)-ylidene)(cyano)acetyl]benzoate
methyl 4-[(1,3-benzothiazol-2(3H)-ylidene)(cyano)acetyl]benzoate
Compound characteristics
| Compound ID: | 3338-0893 |
| Compound Name: | methyl 4-[(1,3-benzothiazol-2(3H)-ylidene)(cyano)acetyl]benzoate |
| Molecular Weight: | 336.37 |
| Molecular Formula: | C18 H12 N2 O3 S |
| Smiles: | COC(c1ccc(cc1)C(C(/C#N)=C1/Nc2ccccc2S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8476 |
| logD: | 3.8474 |
| logSw: | -4.1818 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.88 |
| InChI Key: | FVSXRELEVYWZAQ-UHFFFAOYSA-N |