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28279-27-8 | 5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(3H)-ylidene)-1-[(1-ethylnaphtho[1,2-d]thiazol-2(3H)-ylidene)methyl]ethylidene]-1,3-bis(2-methoxyethyl)barbituric acid
CAS No: 28279-27-8 Catalog No: AG00BR0N MDL No:
Product Description
Catalog Number:
AG00BR0N
Chemical Name:
5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(3H)-ylidene)-1-[(1-ethylnaphtho[1,2-d]thiazol-2(3H)-ylidene)methyl]ethylidene]-1,3-bis(2-methoxyethyl)barbituric acid
CAS Number:
28279-27-8
IUPAC Name:
5-[1,3-bis(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)propan-2-ylidene]-1,3-bis(2-methoxyethyl)-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C39H38N4O5S2/c1-5-40-32(49-30-17-15-25-11-7-9-13-28(25)35(30)40)23-27(34-37(44)42(19-21-47-3)39(46)43(38(34)45)20-22-48-4)24-33-41(6-2)36-29-14-10-8-12-26(29)16-18-31(36)50-33/h7-18,23-24H,5-6,19-22H2,1-4H3
InChI Key:
RHJUONUPJMTLGP-UHFFFAOYSA-N
EC Number:
248-933-4
Properties
Complexity:
1300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
706.228g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
706.876g/mol
Monoisotopic Mass:
706.228g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
7.8
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