431925-83-6
(3-AMINO-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[B]THIENO[3,2-E]PYRIDIN-2-YL)(4-BROMOPHENYL)METHANONE
Name(3-AMINO-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[B]THIENO[3,2-E]PYRIDIN-2-YL)(4-BROMOPHENYL)METHANONE
pro_formulaC19 H17 Br N2 O S
1Identification
【Name】
(3-AMINO-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[B]THIENO[3,2-E]PYRIDIN-2-YL)(4-BROMOPHENYL)METHANONE
【CAS】
【MDL】
MFCD01994722
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H17 Br N2 O S
【pro_molWeight】
401.326
【Inchi】
InChI=1S/C19H17BrN2OS/c20-13-8-6-11(7-9-13)17(23)18-16(21)14-10-12-4-2-1-3-5-15(12)22-19(14)24-18/h6-10H,1-5,21H2
【InChIKey】
InChIKey=GRRTUCRNYVKIEB-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)c2c(c3cc4c(nc3s2)CCCCC4)N)Br
【MOL File】
(3-AMINO-6,7,8,9-TET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:3
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(3-AMINO-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[B]THIENO[3,2-E]PYRIDIN-2-YL)(4-BROMOPHENYL)METHANONE.cml