N-(2-{[(6-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Chemical Structure Depiction of
N-(2-{[(6-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
N-(2-{[(6-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Compound characteristics
| Compound ID: | G751-4618 |
| Compound Name: | N-(2-{[(6-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide |
| Molecular Weight: | 443.97 |
| Molecular Formula: | C21 H18 Cl N3 O2 S2 |
| Smiles: | CCCC(Nc1ccc2c(c1)sc(n2)SCC1=CC(c2cc(ccc2N1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7262 |
| logD: | 5.5138 |
| logSw: | -5.8247 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.992 |
| InChI Key: | GDWLPPINPPQGKU-UHFFFAOYSA-N |