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Home > Indoles and Oxindole > 139543-62-7
139543-62-7 | 4(3H)-Quinazolinone, 2-[3-(1H-indol-3-yl)propyl]-3-phenyl-
CAS No: 139543-62-7 Catalog No: AG001B78 MDL No:
Product Description
Catalog Number:
AG001B78
Chemical Name:
4(3H)-Quinazolinone, 2-[3-(1H-indol-3-yl)propyl]-3-phenyl-
CAS Number:
139543-62-7
Molecular Formula:
C25H21N3O
Molecular Weight:
379.4537
IUPAC Name:
2-[3-(1H-indol-3-yl)propyl]-3-phenylquinazolin-4-one
InChI:
InChI=1S/C25H21N3O/c29-25-21-13-5-7-15-23(21)27-24(28(25)19-10-2-1-3-11-19)16-8-9-18-17-26-22-14-6-4-12-20(18)22/h1-7,10-15,17,26H,8-9,16H2
InChI Key:
SLXYRRRGRLCWSN-UHFFFAOYSA-N
SMILES:
O=c1c2ccccc2nc(n1c1ccccc1)CCCc1c[nH]c2c1cccc2
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.168g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.463g/mol
Monoisotopic Mass:
379.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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