3-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]pentane-2,4-dione
Chemical Structure Depiction of
3-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]pentane-2,4-dione
3-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]pentane-2,4-dione
Compound characteristics
| Compound ID: | 4311-2627 |
| Compound Name: | 3-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]pentane-2,4-dione |
| Molecular Weight: | 287.38 |
| Molecular Formula: | C16 H17 N O2 S |
| Smiles: | CCN1/C(=C\C=C(C(C)=O)C(C)=O)Sc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.6142 |
| logD: | 2.6142 |
| logSw: | -2.8175 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.301 |
| InChI Key: | TWMFLRXNNMQWSM-UHFFFAOYSA-N |