N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N'-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N'-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N'-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea
Compound characteristics
| Compound ID: | C267-0216 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N'-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea |
| Molecular Weight: | 488.7 |
| Molecular Formula: | C28 H36 N6 S |
| Smiles: | CCN1CCN(CC1)c1cc(C)c2cc(ccc2n1)NC(NCCN1CCc2ccccc2C1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.095 |
| logD: | 3.3316 |
| logSw: | -4.9391 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.652 |
| InChI Key: | MBNYEHKGKUKPGH-UHFFFAOYSA-N |