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125656-83-9 | Pyrido[1',2':3,4]imidazo[1,2-a]benzimidazol-2(12H)-one, 9-methoxy-1,3-dimethyl-12-thioxo-
CAS No: 125656-83-9 Catalog No: AG000O9S MDL No:
Product Description
Catalog Number:
AG000O9S
Chemical Name:
Pyrido[1',2':3,4]imidazo[1,2-a]benzimidazol-2(12H)-one, 9-methoxy-1,3-dimethyl-12-thioxo-
CAS Number:
125656-83-9
Molecular Formula:
C16H13N3O2S
Molecular Weight:
311.3583
IUPAC Name:
4-methoxy-12,14-dimethyl-16-sulfanylidene-1,8,10-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,11,14-hexaen-13-one
InChI:
InChI=1S/C16H13N3O2S/c1-8-7-18-13(9(2)14(8)20)15(22)19-12-6-10(21-3)4-5-11(12)17-16(18)19/h4-7H,1-3H3
InChI Key:
WYBVBNOWEQJIER-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)n1c(n2)n2c(c1=S)c(C)c(=O)c(c2)C
UNII:
02U2W351IL
Properties
Complexity:
627
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.359g/mol
Monoisotopic Mass:
311.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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