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54118-08-0 | (5E)-5-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-3-[(Z)-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)METHYL]CYCLOHEX-3-ENE-1-CARBOXAMIDE
CAS No: 54118-08-0 Catalog No: AG00DSLJ MDL No:
Product Description
Catalog Number:
AG00DSLJ
Chemical Name:
(5E)-5-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-3-[(Z)-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)METHYL]CYCLOHEX-3-ENE-1-CARBOXAMIDE
CAS Number:
54118-08-0
IUPAC Name:
3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)cyclohex-3-ene-1-carboxamide
InChI:
InChI=1S/C22H23N3O2S3/c1-3-24-16-7-5-6-8-17(16)29-18(24)11-13-9-14(12-15(10-13)20(23)26)19-21(27)25(4-2)22(28)30-19/h5-9,11,15H,3-4,10,12H2,1-2H3,(H2,23,26)
InChI Key:
KNQIPOCPLZBUAU-UHFFFAOYSA-N
Properties
Complexity:
864
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.095g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
457.625g/mol
Monoisotopic Mass:
457.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
3.7
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