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256520-09-9 | 5-[2,5-BIS-[2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-INDOL-2-YLIDENE)-ETHYLIDENE]-CYCLOPENTYLIDENE]-1,3-DIMETHYL-PYRIMIDINE-2,4,6-TRIONE
CAS No: 256520-09-9 Catalog No: AG007MDP MDL No:
Product Description
Catalog Number:
AG007MDP
Chemical Name:
5-[2,5-BIS-[2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-INDOL-2-YLIDENE)-ETHYLIDENE]-CYCLOPENTYLIDENE]-1,3-DIMETHYL-PYRIMIDINE-2,4,6-TRIONE
CAS Number:
256520-09-9
Molecular Formula:
C37H40N4O3
Molecular Weight:
588.7385
IUPAC Name:
5-[2,5-bis[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C37H40N4O3/c1-36(2)25-13-9-11-15-27(25)38(5)29(36)21-19-23-17-18-24(31(23)32-33(42)40(7)35(44)41(8)34(32)43)20-22-30-37(3,4)26-14-10-12-16-28(26)39(30)6/h9-16,19-22H,17-18H2,1-8H3
InChI Key:
OLXJGWPOGGFWRD-UHFFFAOYSA-N
SMILES:
O=C1N(C)C(=O)C(=C2C(=CC=C3N(C)c4c(C3(C)C)cccc4)CCC2=CC=C2N(C)c3c(C2(C)C)cccc3)C(=O)N1C
Properties
Complexity:
1320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
588.31g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
588.752g/mol
Monoisotopic Mass:
588.31g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
6.1
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