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141598-82-5 | 4-Quinazolinamine, N-phenyl-2-(2-propyn-1-ylthio)-
CAS No: 141598-82-5 Catalog No: AG001GOD MDL No:
Product Description
Catalog Number:
AG001GOD
Chemical Name:
4-Quinazolinamine, N-phenyl-2-(2-propyn-1-ylthio)-
CAS Number:
141598-82-5
Molecular Formula:
C17H13N3S
Molecular Weight:
291.3702
IUPAC Name:
N-phenyl-2-prop-2-ynylsulfanylquinazolin-4-amine
InChI:
InChI=1S/C17H13N3S/c1-2-12-21-17-19-15-11-7-6-10-14(15)16(20-17)18-13-8-4-3-5-9-13/h1,3-11H,12H2,(H,18,19,20)
InChI Key:
RDMYZHPJPBVFLI-UHFFFAOYSA-N
SMILES:
C#CCSc1nc(Nc2ccccc2)c2c(n1)cccc2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.372g/mol
Monoisotopic Mass:
291.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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