ER-thermo-Yellow
HIT212715983
sdf文件结构编辑类似物检索
HIT ID: HIT212715983
Cas No:
分子式: C27H20BClF5N3O3
分子量: 575.73
常用名: ER-thermo-Yellow
氢键受体数 (HBA): 0
氢键供体数 (HBD): 0
LogP:
IUPAC: 8-[4-(2-chloroacetamido)phenyl]-2,2-difluoro-12-[(1E)-2-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethenyl]-10-methyl-1lambda5,3-diaza-2lambda4-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-yl
IUPAC: 8-[4-(2-chloroacetamido)phenyl]-2,2-difluoro-12-[(1E)-2-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethenyl]-10-methyl-1lambda5,3-diaza-2lambda4-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-yl
SMILES: CC1=CC(\C=C\c2cc(OC(F)(F)F)ccc2O)=[N]2C1=C(c1cccn1[B]2(F)F)c1ccc(NC(=O)CCl)cc1 |c:18,t:1,21,^1:18|
SMILES: CC1=CC(\C=C\c2cc(OC(F)(F)F)ccc2O)=[N]2C1=C(c1cccn1[B]2(F)F)c1ccc(NC(=O)CCl)cc1 |c:18,t:1,21,^1:18|
InChI key: KELQILVKLNLBAG-RMKNXTFCSA-N
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