N-[3-(4-benzylpiperazin-1-yl)propyl]-2-[(6-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-[(6-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-[(6-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C547-0449 |
| Compound Name: | N-[3-(4-benzylpiperazin-1-yl)propyl]-2-[(6-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 499.07 |
| Molecular Formula: | C26 H31 Cl N4 O2 S |
| Smiles: | CN1C(C=C(c2cc(ccc12)[Cl])SCC(NCCCN1CCN(CC1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6694 |
| logD: | 1.8497 |
| logSw: | -3.6716 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.221 |
| InChI Key: | HYJNLUDMWCEPFL-UHFFFAOYSA-N |