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27969-53-5 | 5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-methylethylidene]-1,3-bis(2-methoxyethyl)barbituric acid
CAS No: 27969-53-5 Catalog No: AG00BQQ4 MDL No:
Product Description
Catalog Number:
AG00BQQ4
Chemical Name:
5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-methylethylidene]-1,3-bis(2-methoxyethyl)barbituric acid
CAS Number:
27969-53-5
IUPAC Name:
5-[(1E)-1-(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/C26H29N3O5S/c1-5-27-21(35-20-11-10-18-8-6-7-9-19(18)23(20)27)16-17(2)22-24(30)28(12-14-33-3)26(32)29(25(22)31)13-15-34-4/h6-11,16H,5,12-15H2,1-4H3/b21-16+
InChI Key:
HLWYHLPFIFQUDD-LTGZKZEYSA-N
EC Number:
248-751-5
Properties
Complexity:
871
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
495.183g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
495.594g/mol
Monoisotopic Mass:
495.183g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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