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936336-21-9 |
CAS No: 936336-21-9 Catalog No: AG01FL23 MDL No:
Product Description
Catalog Number:
AG01FL23
CAS Number:
936336-21-9
IUPAC Name:
2-[(2Z,5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-2-(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid
InChI:
InChI=1S/C48H47N3O4S3/c1-2-3-4-5-6-13-27-49-46(55)44(58-48(49)56)47-50(31-43(52)53)45(54)42(57-47)30-33-23-26-41-39(29-33)37-19-14-20-40(37)51(41)36-24-21-32(22-25-36)28-38(34-15-9-7-10-16-34)35-17-11-8-12-18-35/h7-12,15-18,21-26,28-30,37,40H,2-6,13-14,19-20,27,31H2,1H3,(H,52,53)/b42-30+,47-44-
InChI Key:
WZGXSNHXTGGEGJ-AEZJCARQSA-N
Properties
Complexity:
1590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
825.273g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
826.101g/mol
Monoisotopic Mass:
825.273g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
12.7
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