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821784-51-4 | Phenol, 3-[[[5-(1H-indol-5-yl)-3-pyridinyl]amino]methyl]-
CAS No: 821784-51-4 Catalog No: AG00578V MDL No:
Product Description
Catalog Number:
AG00578V
Chemical Name:
Phenol, 3-[[[5-(1H-indol-5-yl)-3-pyridinyl]amino]methyl]-
CAS Number:
821784-51-4
Molecular Formula:
C20H17N3O
Molecular Weight:
315.3685
IUPAC Name:
3-[[[5-(1H-indol-5-yl)pyridin-3-yl]amino]methyl]phenol
InChI:
InChI=1S/C20H17N3O/c24-19-3-1-2-14(8-19)11-23-18-10-17(12-21-13-18)15-4-5-20-16(9-15)6-7-22-20/h1-10,12-13,22-24H,11H2
InChI Key:
YROXZKBGTDIQBP-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)CNc1cncc(c1)c1ccc2c(c1)cc[nH]2
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
315.376g/mol
Monoisotopic Mass:
315.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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