Home Other Building Blocks 4-(2-Chlorophenyl)-2-ethyl-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine

4-(2-Chlorophenyl)-2-ethyl-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine

CAS No.:
40054-69-1
Catalog Number:
AG0039J8
Molecular Formula:
C17H15ClN4S
Molecular Weight:
342.8458
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Product Description
Catalog Number:
AG0039J8
Chemical Name:
4-(2-Chlorophenyl)-2-ethyl-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
CAS Number:
40054-69-1
Molecular Formula:
C17H15ClN4S
Molecular Weight:
342.8458
MDL Number:
MFCD00867532
IUPAC Name:
7-(2-chlorophenyl)-4-ethyl-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
InChI:
InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3
InChI Key:
VMZUTJCNQWMAGF-UHFFFAOYSA-N
SMILES:
CCc1cc2c(s1)n1c(CN=C2c2ccccc2Cl)nnc1C
UNII:
A76XI0HL37
Properties
Complexity:
474  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.071g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.845g/mol
Monoisotopic Mass:
342.071g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
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