N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea
Compound characteristics
| Compound ID: | C267-0165 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C25 H29 N5 O2 S |
| Smiles: | CCN1CCN(CC1)c1cc(C)c2cc(ccc2n1)NC(NCc1ccc2c(c1)OCO2)=S |
| Stereo: | ACHIRAL |
| logP: | 4.6995 |
| logD: | 4.012 |
| logSw: | -4.4201 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.282 |
| InChI Key: | QRKCOSAURAHTPO-UHFFFAOYSA-N |