4-{[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-1-ethylquinolin-2(1H)-one
Chemical Structure Depiction of
4-{[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-1-ethylquinolin-2(1H)-one
4-{[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-1-ethylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | C564-0076 |
| Compound Name: | 4-{[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-1-ethylquinolin-2(1H)-one |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C24 H27 N3 O2 S |
| Smiles: | CCN1C(C=C(c2ccccc12)SCC(N1CCN(CC1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7932 |
| logD: | 2.7834 |
| logSw: | -3.4409 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.277 |
| InChI Key: | HONIFRDHCYZTDD-UHFFFAOYSA-N |