1-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)butan-2-one
Chemical Structure Depiction of
1-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)butan-2-one
1-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)butan-2-one
Compound characteristics
| Compound ID: | 0118-0093 |
| Compound Name: | 1-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)butan-2-one |
| Molecular Weight: | 263.36 |
| Molecular Formula: | C14 H17 N O2 S |
| Smiles: | CCC(\C=C1/N(CC)c2cc(ccc2S1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5272 |
| logD: | 3.5272 |
| logSw: | -3.8734 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 21.9466 |
| InChI Key: | OZFSIKFTRRUDES-UHFFFAOYSA-N |