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Home > Imidazoles > 677343-26-9
677343-26-9 | Imidazo[2,1-b]quinazoline, 1,2,3,5-tetrahydro-7-[(4-methoxyphenyl)thio]-
CAS No: 677343-26-9 Catalog No: AG0063N0 MDL No:
Product Description
Catalog Number:
AG0063N0
Chemical Name:
Imidazo[2,1-b]quinazoline, 1,2,3,5-tetrahydro-7-[(4-methoxyphenyl)thio]-
CAS Number:
677343-26-9
Molecular Formula:
C17H17N3OS
Molecular Weight:
311.4014
IUPAC Name:
7-(4-methoxyphenyl)sulfanyl-2,3,5,10-tetrahydroimidazo[2,1-b]quinazoline
InChI:
InChI=1S/C17H17N3OS/c1-21-13-2-4-14(5-3-13)22-15-6-7-16-12(10-15)11-20-9-8-18-17(20)19-16/h2-7,10H,8-9,11H2,1H3,(H,18,19)
InChI Key:
RIZFVUNDZZLBEV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Sc1ccc2c(c1)CN1C(=N2)NCC1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.109g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.403g/mol
Monoisotopic Mass:
311.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Discovery and SAR development of 2-(phenylamino) imidazolines as prostacyclin receptor antagonists [corrected]. | Bioorganic & medicinal chemistry letters 20040223 |
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