3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)pentane-2,4-dione
Chemical Structure Depiction of
3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)pentane-2,4-dione
3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)pentane-2,4-dione
Compound characteristics
| Compound ID: | 2421-0455 |
| Compound Name: | 3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)pentane-2,4-dione |
| Molecular Weight: | 247.31 |
| Molecular Formula: | C13 H13 N O2 S |
| Smiles: | CC(C(=C1N(C)c2ccccc2S1)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9578 |
| logD: | 1.9578 |
| logSw: | -2.1404 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.066 |
| InChI Key: | YOVIMCRIWSEEKH-UHFFFAOYSA-N |