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Home > Indoles and Oxindole > 116989-20-9
116989-20-9 | 1,3,4-Thiadiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
CAS No: 116989-20-9 Catalog No: AG000DG8 MDL No:
Product Description
Catalog Number:
AG000DG8
Chemical Name:
1,3,4-Thiadiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
CAS Number:
116989-20-9
Molecular Formula:
C11H6N4OS
Molecular Weight:
242.2565
IUPAC Name:
14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one
InChI:
InChI=1S/C11H6N4OS/c16-10-9-8(14-11-15(10)12-5-17-11)6-3-1-2-4-7(6)13-9/h1-5,13H
InChI Key:
BEPWWKQOCLWXFC-UHFFFAOYSA-N
SMILES:
O=c1c2[nH]c3c(c2nc2n1ncs2)cccc3
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.026g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.256g/mol
Monoisotopic Mass:
242.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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