HIT ID: HIT218852359
Cas No: 172827-25-7,195199-08-7
分子式: C28H28IN3OS
分子量: 581.52
常用名: 2-{[2-(dimethylamino)ethyl]sulfanyl}-4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenyl-1lambda5-quinolin-1-ylium iodide
常用名: 2-{[2-(dimethylamino)ethyl]sulfanyl}-4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenyl-1lambda5-quinolin-1-ylium iodide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-{[2-(dimethylamino)ethyl]sulfanyl}-4-[(3-methyl-2,3-dihydro-1,3-benzoxazol-2-ylidene)methyl]-1-phenyl-1lambda5-quinolin-1-ylium iodide
IUPAC: 2-{[2-(dimethylamino)ethyl]sulfanyl}-4-[(3-methyl-2,3-dihydro-1,3-benzoxazol-2-ylidene)methyl]-1-phenyl-1lambda5-quinolin-1-ylium iodide
SMILES: [I-].CN(C)CCSc1cc(C=C2Oc3ccccc3N2C)c2ccccc2[n+]1-c1ccccc1
SMILES: [I-].CN(C)CCSc1cc(C=C2Oc3ccccc3N2C)c2ccccc2[n+]1-c1ccccc1
InChI key: KQXBZZLQWLZPAL-UHFFFAOYSA-M
