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Home > Indoles and Oxindole > 189830-98-6
189830-98-6 | 2-Pyrrolidinone, 1-[2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)ethyl]-
CAS No: 189830-98-6 Catalog No: AG002E1P MDL No:
Product Description
Catalog Number:
AG002E1P
Chemical Name:
2-Pyrrolidinone, 1-[2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)ethyl]-
CAS Number:
189830-98-6
Molecular Formula:
C15H15N5OS
Molecular Weight:
313.3775
IUPAC Name:
1-[2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethyl]pyrrolidin-2-one
InChI:
InChI=1S/C15H15N5OS/c21-12-6-3-7-20(12)8-9-22-15-17-14-13(18-19-15)10-4-1-2-5-11(10)16-14/h1-2,4-5H,3,6-9H2,(H,16,17,19)
InChI Key:
GVYOEJZVPUDJGK-UHFFFAOYSA-N
SMILES:
O=C1CCCN1CCSc1nnc2c(n1)[nH]c1c2cccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.379g/mol
Monoisotopic Mass:
313.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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