2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one
2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | Y505-4888 |
| Compound Name: | 2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 315.41 |
| Molecular Formula: | C16 H13 N O2 S2 |
| Smiles: | COc1ccc(cc1)C(CSc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3089 |
| logD: | 4.3089 |
| logSw: | -4.4037 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.839 |
| InChI Key: | NRIVKIVSQWVBHY-UHFFFAOYSA-N |