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Home > Nitro Compounds > 374086-58-5
374086-58-5 | 3-Cyclohexyl-5-[[3-methoxy-4-[(4-nitrobenzoyl)oxy]phenyl]methylene]-2-thioxo-4-thiazolidinone
CAS No: 374086-58-5 Catalog No: AG01EVQN MDL No:
Product Description
Catalog Number:
AG01EVQN
Chemical Name:
3-Cyclohexyl-5-[[3-methoxy-4-[(4-nitrobenzoyl)oxy]phenyl]methylene]-2-thioxo-4-thiazolidinone
CAS Number:
374086-58-5
Molecular Formula:
C24H22N2O6S2
Molecular Weight:
498.5713
IUPAC Name:
[4-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] 4-nitrobenzoate
InChI:
InChI=1S/C24H22N2O6S2/c1-31-20-13-15(14-21-22(27)25(24(33)34-21)17-5-3-2-4-6-17)7-12-19(20)32-23(28)16-8-10-18(11-9-16)26(29)30/h7-14,17H,2-6H2,1H3/b21-14-
InChI Key:
PULOPOQTFZBVII-STZFKDTASA-N
SMILES:
COc1cc(ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-])/C=C/1\SC(=S)N(C1=O)C1CCCCC1
Properties
Complexity:
830
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
498.092g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.568g/mol
Monoisotopic Mass:
498.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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