4-({2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1-ethylquinolin-2(1H)-one
Chemical Structure Depiction of
4-({2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1-ethylquinolin-2(1H)-one
4-({2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1-ethylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | C066-3151 |
| Compound Name: | 4-({2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1-ethylquinolin-2(1H)-one |
| Molecular Weight: | 435.59 |
| Molecular Formula: | C25 H29 N3 O2 S |
| Smiles: | CCN1C(C=C(c2ccccc12)SCC(N1CCN(CC1)c1ccc(C)cc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4499 |
| logD: | 4.4498 |
| logSw: | -4.3678 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.695 |
| InChI Key: | KRHBDNOCOPGXQM-UHFFFAOYSA-N |