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94166-41-3 | 3-CYCLOHEXYL-5-[4-(1-ETHYLNAPHTH[1,2-D]OXAZOL-2(1H)-YLIDENE)-1-METHYLBUT-2-ENYLIDENE]-2-THIOXOTHIAZOLIDIN-4-ONE
CAS No: 94166-41-3 Catalog No: AG006PVT MDL No:
Product Description
Catalog Number:
AG006PVT
Chemical Name:
3-CYCLOHEXYL-5-[4-(1-ETHYLNAPHTH[1,2-D]OXAZOL-2(1H)-YLIDENE)-1-METHYLBUT-2-ENYLIDENE]-2-THIOXOTHIAZOLIDIN-4-ONE
CAS Number:
94166-41-3
Molecular Formula:
C27H28N2O2S2
Molecular Weight:
476.6534
IUPAC Name:
(5Z)-3-cyclohexyl-5-[(E,5E)-5-(1-ethylbenzo[e][1,3]benzoxazol-2-ylidene)pent-3-en-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C27H28N2O2S2/c1-3-28-23(31-22-17-16-19-11-7-8-14-21(19)24(22)28)15-9-10-18(2)25-26(30)29(27(32)33-25)20-12-5-4-6-13-20/h7-11,14-17,20H,3-6,12-13H2,1-2H3/b10-9+,23-15+,25-18-
InChI Key:
DLERGUBGTYVNCN-MCIIVXFASA-N
SMILES:
CCn1c(=CC=CC(=C2SC(=S)N(C2=O)C2CCCCC2)C)oc2c1c1ccccc1cc2
EC Number:
303-337-4
Properties
Complexity:
873
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
476.159g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
476.653g/mol
Monoisotopic Mass:
476.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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