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832697-39-9 | Thieno[3,2-c]pyridin-4-amine, 3-(4-phenoxyphenyl)-7-(1H-pyrrol-3-yl)-
CAS No: 832697-39-9 Catalog No: AG004TUP MDL No:
Product Description
Catalog Number:
AG004TUP
Chemical Name:
Thieno[3,2-c]pyridin-4-amine, 3-(4-phenoxyphenyl)-7-(1H-pyrrol-3-yl)-
CAS Number:
832697-39-9
Molecular Formula:
C23H17N3OS
Molecular Weight:
383.4656
IUPAC Name:
3-(4-phenoxyphenyl)-7-(1H-pyrrol-3-yl)thieno[3,2-c]pyridin-4-amine
InChI:
InChI=1S/C23H17N3OS/c24-23-21-20(14-28-22(21)19(13-26-23)16-10-11-25-12-16)15-6-8-18(9-7-15)27-17-4-2-1-3-5-17/h1-14,25H,(H2,24,26)
InChI Key:
BSUNWTCCNNFVQV-UHFFFAOYSA-N
SMILES:
Nc1ncc(c2c1c(cs2)c1ccc(cc1)Oc1ccccc1)c1c[nH]cc1
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.109g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
383.469g/mol
Monoisotopic Mass:
383.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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