Name: Name:3-Cyclohexyl-5-[[3-methoxy-4-[(4-nitrobenzoyl)oxy]phenyl]methylene]-2-thioxo-4-thiazolidinone
Brand: Angene
SKU: AG01EVQN
Rating: 90 (10 reviews)

3-Cyclohexyl-5-[[3-methoxy-4-[(4-nitrobenzoyl)oxy]phenyl]methylene]-2-thioxo-4-thiazolidinone

CAS No.:

374086-58-5

Catalog Number:

AG01EVQN

Molecular Formula:

C24H22N2O6S2

Molecular Weight:

498.5713

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

MDL Number:

MFCD30834491

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

Complexity:

830

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

498.092g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

498.568g/mol

Monoisotopic Mass:

498.092g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

159A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: