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Home > Pyridines > 606955-12-8
606955-12-8 | 1-cyclopentyl-2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a
CAS No: 606955-12-8 Catalog No: AG00ES5N MDL No:
Product Description
Catalog Number:
AG00ES5N
Chemical Name:
1-cyclopentyl-2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a
CAS Number:
606955-12-8
IUPAC Name:
7-cyclopentyl-6-imino-13-methyl-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
InChI:
InChI=1S/C24H24N4O3S/c1-15-7-10-18(11-8-15)32(30,31)20-13-19-23(28(22(20)25)17-5-3-4-6-17)26-21-12-9-16(2)14-27(21)24(19)29/h7-14,17,25H,3-6H2,1-2H3
InChI Key:
MCRZQBKFGLDKRK-UHFFFAOYSA-N
Properties
Complexity:
1120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.157g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
448.541g/mol
Monoisotopic Mass:
448.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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