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332384-81-3 | N-(3,4-Dimethyl-phenyl)-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-propionamide
CAS No: 332384-81-3 Catalog No: AG01F3SD MDL No:
Product Description
Catalog Number:
AG01F3SD
Chemical Name:
N-(3,4-Dimethyl-phenyl)-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-propionamide
CAS Number:
332384-81-3
Molecular Formula:
C20H19N5OS
Molecular Weight:
377.4628
IUPAC Name:
N-(3,4-dimethylphenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide
InChI:
InChI=1S/C20H19N5OS/c1-11-8-9-14(10-12(11)2)21-19(26)13(3)27-20-23-18-17(24-25-20)15-6-4-5-7-16(15)22-18/h4-10,13H,1-3H3,(H,21,26)(H,22,23,25)
InChI Key:
WAFBVQSMSJTMNA-UHFFFAOYSA-N
SMILES:
O=C(C(Sc1nnc2c(n1)[nH]c1c2cccc1)C)Nc1ccc(c(c1)C)C
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.131g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
377.466g/mol
Monoisotopic Mass:
377.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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