3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
Chemical Structure Depiction of
3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
Compound characteristics
| Compound ID: | 1981-1377 |
| Compound Name: | 3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxybenzaldehyde |
| Molecular Weight: | 315.41 |
| Molecular Formula: | C16 H13 N O2 S2 |
| Smiles: | COc1ccc(C=O)cc1CSc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4089 |
| logD: | 4.4089 |
| logSw: | -4.4564 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.838 |
| InChI Key: | FQXPCUSCIXPYMA-UHFFFAOYSA-N |