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885722-13-4 | 1,3-DIETHYL-1,3-DIHYDRO-2'-(PHENYLIMINO)-SPIRO[2H-BENZO[D]IMIDAZOLE-2,3'(2'H)-THIOPHENE]-4',5'-DICARBOXYLIC ACID DIMETHYL ESTER
CAS No: 885722-13-4 Catalog No: AG004BE6 MDL No:
Product Description
Catalog Number:
AG004BE6
Chemical Name:
1,3-DIETHYL-1,3-DIHYDRO-2'-(PHENYLIMINO)-SPIRO[2H-BENZO[D]IMIDAZOLE-2,3'(2'H)-THIOPHENE]-4',5'-DICARBOXYLIC ACID DIMETHYL ESTER
CAS Number:
885722-13-4
Molecular Formula:
C24H25N3O4S
Molecular Weight:
451.5380
IUPAC Name:
dimethyl 1,3-diethyl-5'-phenyliminospiro[benzimidazole-2,4'-thiophene]-2',3'-dicarboxylate
InChI:
InChI=1S/C24H25N3O4S/c1-5-26-17-14-10-11-15-18(17)27(6-2)24(26)19(21(28)30-3)20(22(29)31-4)32-23(24)25-16-12-8-7-9-13-16/h7-15H,5-6H2,1-4H3
InChI Key:
FOCLFKRYACTCHC-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(C(=O)OC)C2(C(=Nc3ccccc3)S1)N(CC)c1c(N2CC)cccc1
Properties
Complexity:
785
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.157g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
451.541g/mol
Monoisotopic Mass:
451.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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