N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea
Compound characteristics
| Compound ID: | C267-0452 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea |
| Molecular Weight: | 474.67 |
| Molecular Formula: | C27 H34 N6 S |
| Smiles: | Cc1cc(nc2ccc(cc12)NC(NCCN1CCc2ccccc2C1)=S)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.7503 |
| logD: | 2.9869 |
| logSw: | -4.4531 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.592 |
| InChI Key: | GUZKIHXGJQNCND-UHFFFAOYSA-N |