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930396-28-4 | N-cyclopropyl-1-sulfanyl-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide
CAS No: 930396-28-4 Catalog No: AG019QBW MDL No:MFCD09702313
Product Description
Catalog Number:
AG019QBW
Chemical Name:
N-cyclopropyl-1-sulfanyl-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide
CAS Number:
930396-28-4
Molecular Formula:
C14H12N4OS
Molecular Weight:
284.3363
MDL Number:
MFCD09702313
IUPAC Name:
N-cyclopropyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide
InChI:
InChI=1S/C14H12N4OS/c19-13(15-8-5-6-8)10-7-12-16-17-14(20)18(12)11-4-2-1-3-9(10)11/h1-4,7-8H,5-6H2,(H,15,19)(H,17,20)
InChI Key:
DYWUTRGIZUEQQY-UHFFFAOYSA-N
SMILES:
O=C(c1cc2nnc(n2c2c1cccc2)S)NC1CC1
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.337g/mol
Monoisotopic Mass:
284.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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