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88498-93-5 | 2-((4-Hydroxy-3-methoxyphenyl)methylene)thiazolo(3,2-a)benzimidazol-3(2H)-one
CAS No: 88498-93-5 Catalog No: AG008ABY MDL No:
Product Description
Catalog Number:
AG008ABY
Chemical Name:
2-((4-Hydroxy-3-methoxyphenyl)methylene)thiazolo(3,2-a)benzimidazol-3(2H)-one
CAS Number:
88498-93-5
Molecular Formula:
C17H20N2O3S
Molecular Weight:
332.4173
IUPAC Name:
2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3a,4,4a,5,6,7,8,8a-octahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-one
InChI:
InChI=1S/C17H20N2O3S/c1-22-14-8-10(6-7-13(14)20)9-15-16(21)19-12-5-3-2-4-11(12)18-17(19)23-15/h6-9,11-12,17-18,20H,2-5H2,1H3
InChI Key:
NDEOKLGKNFVHEI-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)C=C1SC2N(C1=O)C1C(N2)CCCC1
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.119g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.418g/mol
Monoisotopic Mass:
332.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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