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125656-82-8 | Pyrido[1',2':3,4]imidazo[1,2-a]benzimidazol-2(12H)-one, 8-methoxy-1,3-dimethyl-12-thioxo-
CAS No: 125656-82-8 Catalog No: AG000O9T MDL No:
Product Description
Catalog Number:
AG000O9T
Chemical Name:
Pyrido[1',2':3,4]imidazo[1,2-a]benzimidazol-2(12H)-one, 8-methoxy-1,3-dimethyl-12-thioxo-
CAS Number:
125656-82-8
Molecular Formula:
C16H13N3O2S
Molecular Weight:
311.3583
IUPAC Name:
5-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)19-12-5-4-10(21-3)6-11(12)17-16(18)19/h4-7H,1-3H3
InChI Key:
ZHCRAWLAWCUHBF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc1n2c(=S)c2n1cc(c(=O)c2C)C
UNII:
63EB83V34B
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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