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137890-00-7 | Pyrimido[4,5-b]indolizine, 2-chloro-10-[(4-methylphenyl)sulfonyl]-
CAS No: 137890-00-7 Catalog No: AG001421 MDL No:
Product Description
Catalog Number:
AG001421
Chemical Name:
Pyrimido[4,5-b]indolizine, 2-chloro-10-[(4-methylphenyl)sulfonyl]-
CAS Number:
137890-00-7
Molecular Formula:
C17H12ClN3O2S
Molecular Weight:
357.8141
IUPAC Name:
2-chloro-10-(4-methylphenyl)sulfonylpyrimido[4,5-b]indolizine
InChI:
InChI=1S/C17H12ClN3O2S/c1-11-5-7-12(8-6-11)24(22,23)16-13-4-2-3-9-21(13)14-10-19-17(18)20-15(14)16/h2-10H,1H3
InChI Key:
NBJCBULOUZARKT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)c1c2ccccn2c2c1nc(Cl)nc2
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.034g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.812g/mol
Monoisotopic Mass:
357.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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