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54118-06-8 | 3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5-(3-METHYL-5-OXO-1-PHENYL-1,5-DIHYDRO-4H-PYRAZOL-4-YLIDENE)-3-CYCLOHEXENE-1-CARBOXAMIDE
CAS No: 54118-06-8 Catalog No: AG00DUJG MDL No:
Product Description
Catalog Number:
AG00DUJG
Chemical Name:
3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5-(3-METHYL-5-OXO-1-PHENYL-1,5-DIHYDRO-4H-PYRAZOL-4-YLIDENE)-3-CYCLOHEXENE-1-CARBOXAMIDE
CAS Number:
54118-06-8
IUPAC Name:
3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)cyclohex-3-ene-1-carboxamide
InChI:
InChI=1S/C27H26N4O2S/c1-3-30-22-11-7-8-12-23(22)34-24(30)15-18-13-19(16-20(14-18)26(28)32)25-17(2)29-31(27(25)33)21-9-5-4-6-10-21/h4-13,15,20H,3,14,16H2,1-2H3,(H2,28,32)
InChI Key:
GUIIERPBEPOMTB-UHFFFAOYSA-N
Properties
Complexity:
975
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.178g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
470.591g/mol
Monoisotopic Mass:
470.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
3.7
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