2-[[(4-Methoxy-3-methyl-2-pyridinyl)methyl]thio]-6-(1H-pyrrol-1-yl)-1H-benzimidazole
化学名:2-[[(4-Methoxy-3-methyl-2-pyridinyl)methyl]thio]-6-(1H-pyrrol-1-yl)-1H-benzimidazole
CAS番号.172152-35-1
英語名:2-[[(4-Methoxy-3-methyl-2-pyridinyl)methyl]thio]-6-(1H-pyrrol-1-yl)-1H-benzimidazole
CBNumberCB73060042
MFC19H18N4OS
MW350.44
MOL File172152-35-1.mol
2-[[(4-Methoxy-3-methyl-2-pyridinyl)methyl]thio]-6-(1H-pyrrol-1-yl)-1H-benzimidazole物理性質
沸点 | 590.4±60.0 °C(Predicted) |
比重(密度) | 1.30±0.1 g/cm3(Predicted) |
酸解離定数(Pka) | 9.26±0.10(Predicted) |
InChI | InChI=1S/C19H18N4OS/c1-13-17(20-8-7-18(13)24-2)12-25-19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22) |
InChIKey | TZNQIYXOVOTIKQ-UHFFFAOYSA-N |
SMILES | C1(SCC2=NC=CC(OC)=C2C)NC2=CC(N3C=CC=C3)=CC=C2N=1 |