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85049-99-6 | 4-Thiazolidinone,3-cyclohexyl-5-[4-(3-ethyl-2(3H)-benzothiazolylidene)-1-methyl-2-buten-1-ylidene]-2-thioxo-
CAS No: 85049-99-6 Catalog No: AG008GY4 MDL No:
Product Description
Catalog Number:
AG008GY4
Chemical Name:
4-Thiazolidinone,3-cyclohexyl-5-[4-(3-ethyl-2(3H)-benzothiazolylidene)-1-methyl-2-buten-1-ylidene]-2-thioxo-
CAS Number:
85049-99-6
Molecular Formula:
C23H26N2OS3
Molecular Weight:
442.6603
IUPAC Name:
(5E)-3-cyclohexyl-5-[(E,5E)-5-(3-ethyl-1,3-benzothiazol-2-ylidene)pent-3-en-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C23H26N2OS3/c1-3-24-18-13-7-8-14-19(18)28-20(24)15-9-10-16(2)21-22(26)25(23(27)29-21)17-11-5-4-6-12-17/h7-10,13-15,17H,3-6,11-12H2,1-2H3/b10-9+,20-15+,21-16+
InChI Key:
PSKSUZATVUPWJN-HUDZSKQESA-N
SMILES:
CCn1c(=CC=CC(=C2SC(=S)N(C2=O)C2CCCCC2)C)sc2c1cccc2
EC Number:
285-273-6
Properties
Complexity:
751
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
442.121g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.654g/mol
Monoisotopic Mass:
442.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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