N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-[(4-ethylphenyl)sulfanyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-[(4-ethylphenyl)sulfanyl]quinoline-4-carboxamide
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-[(4-ethylphenyl)sulfanyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K786-9040 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-[(4-ethylphenyl)sulfanyl]quinoline-4-carboxamide |
| Molecular Weight: | 531.12 |
| Molecular Formula: | C30 H31 Cl N4 O S |
| Smiles: | CCc1ccc(cc1)Sc1cc(C(NCCN2CCN(CC2)c2cccc(c2)[Cl])=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.1859 |
| logD: | 7.1618 |
| logSw: | -6.3084 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.156 |
| InChI Key: | WMSOBJVKROBRMD-UHFFFAOYSA-N |