N-(2-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-ethylbutanamide
Chemical Structure Depiction of
N-(2-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-ethylbutanamide
N-(2-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-ethylbutanamide
Compound characteristics
| Compound ID: | G751-4469 |
| Compound Name: | N-(2-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-ethylbutanamide |
| Molecular Weight: | 472.03 |
| Molecular Formula: | C23 H22 Cl N3 O2 S2 |
| Smiles: | CCC(CC)C(Nc1ccc2c(c1)sc(n2)SCC1=CC(c2cccc(c2N1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0307 |
| logD: | 5.782 |
| logSw: | -6.0639 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.954 |
| InChI Key: | GJTFBQHQSZNAAP-UHFFFAOYSA-N |