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617694-56-1 | 1-cyclohexyl-2-imino-10-methyl-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a
CAS No: 617694-56-1 Catalog No: AG00ES5L MDL No:
Product Description
Catalog Number:
AG00ES5L
Chemical Name:
1-cyclohexyl-2-imino-10-methyl-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a
CAS Number:
617694-56-1
IUPAC Name:
7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
InChI:
InChI=1S/C27H29N5O2/c1-18-9-8-16-31-24(18)30-25-22(27(31)34)17-21(23(28)32(25)20-12-6-3-7-13-20)26(33)29-15-14-19-10-4-2-5-11-19/h2,4-5,8-11,16-17,20,28H,3,6-7,12-15H2,1H3,(H,29,33)
InChI Key:
OCLIPISMQXFBES-UHFFFAOYSA-N
Properties
Complexity:
1040
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.232g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
455.562g/mol
Monoisotopic Mass:
455.232g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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