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478247-95-9 | 3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile
CAS No: 478247-95-9 Catalog No: AG00IRFT MDL No:MFCD01815170
Product Description
Catalog Number:
AG00IRFT
Chemical Name:
3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile
CAS Number:
478247-95-9
Molecular Formula:
C21H16N2O
Molecular Weight:
312.3645
MDL Number:
MFCD01815170
IUPAC Name:
3-[(4-methylphenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile
InChI:
InChI=1S/C21H16N2O/c1-15-5-7-16(8-6-15)14-24-17-9-10-18-19(13-22)20-4-2-3-11-23(20)21(18)12-17/h2-12H,14H2,1H3
InChI Key:
WGKDGYPEAYWQHO-UHFFFAOYSA-N
SMILES:
N#Cc1c2ccccn2c2c1ccc(c2)OCc1ccc(cc1)C
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.372g/mol
Monoisotopic Mass:
312.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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