N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea
Compound characteristics
| Compound ID: | C267-0401 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C24 H27 N5 O2 S |
| Smiles: | Cc1cc(nc2ccc(cc12)NC(NCc1ccc2c(c1)OCO2)=S)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.3548 |
| logD: | 3.7848 |
| logSw: | -4.3298 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.222 |
| InChI Key: | YVAHMZXGGGMAIB-UHFFFAOYSA-N |