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144011-33-6 | Cyclohexene-1,3-dicarboxamide, 2-(4-morpholinyl)-N,N'-diphenyl- (9CI)
CAS No: 144011-33-6 Catalog No: AG001ISE MDL No:
Product Description
Catalog Number:
AG001ISE
Chemical Name:
Cyclohexene-1,3-dicarboxamide, 2-(4-morpholinyl)-N,N'-diphenyl- (9CI)
CAS Number:
144011-33-6
Molecular Formula:
C24H27N3O3
Molecular Weight:
405.4895
IUPAC Name:
2-morpholin-4-yl-1-N,3-N-diphenylcyclohexene-1,3-dicarboxamide
InChI:
InChI=1S/C24H27N3O3/c28-23(25-18-8-3-1-4-9-18)20-12-7-13-21(22(20)27-14-16-30-17-15-27)24(29)26-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,25,28)(H,26,29)
InChI Key:
SPPRLVZBIFHIIC-UHFFFAOYSA-N
SMILES:
O=C(C1CCCC(=C1N1CCOCC1)C(=O)Nc1ccccc1)Nc1ccccc1
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.205g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
405.498g/mol
Monoisotopic Mass:
405.205g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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