3-chloro-N-{3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2(3H)-ylidene}benzamide
Chemical Structure Depiction of
3-chloro-N-{3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2(3H)-ylidene}benzamide
3-chloro-N-{3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2(3H)-ylidene}benzamide
Compound characteristics
| Compound ID: | V028-4065 |
| Compound Name: | 3-chloro-N-{3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2(3H)-ylidene}benzamide |
| Molecular Weight: | 442.97 |
| Molecular Formula: | C22 H23 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(CN1/C(=N/C(c2cccc(c2)[Cl])=O)Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8923 |
| logD: | 2.7161 |
| logSw: | -3.4084 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.188 |
| InChI Key: | BHSQQZGFJWGMEP-UHFFFAOYSA-N |