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133040-63-8 | 4(3H)-Quinazolinone, 3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]-
CAS No: 133040-63-8 Catalog No: AG0011KV MDL No:
Product Description
Catalog Number:
AG0011KV
Chemical Name:
4(3H)-Quinazolinone, 3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]-
CAS Number:
133040-63-8
Molecular Formula:
C24H18ClN3O
Molecular Weight:
399.8722
IUPAC Name:
3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one
InChI:
InChI=1S/C24H18ClN3O/c25-17-6-5-7-18(14-17)28-23(27-22-11-4-2-9-20(22)24(28)29)13-12-16-15-26-21-10-3-1-8-19(16)21/h1-11,14-15,26H,12-13H2
InChI Key:
QEIOFFTWROGOHN-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)n1c(CCc2c[nH]c3c2cccc3)nc2c(c1=O)cccc2
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.114g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.878g/mol
Monoisotopic Mass:
399.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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