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119457-18-0 | 3H-Pyrazol-3-one, 2-[2-(2-chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-2,4-dihydro-5-methyl-4-(1-phenylethylidene)-
CAS No: 119457-18-0 Catalog No: AG000ITI MDL No:
Product Description
Catalog Number:
AG000ITI
Chemical Name:
3H-Pyrazol-3-one, 2-[2-(2-chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-2,4-dihydro-5-methyl-4-(1-phenylethylidene)-
CAS Number:
119457-18-0
Molecular Formula:
C28H20ClN5O2
Molecular Weight:
493.9437
IUPAC Name:
2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-5-methyl-4-(1-phenylethylidene)pyrazol-3-one
InChI:
InChI=1S/C28H20ClN5O2/c1-16(18-8-4-3-5-9-18)25-17(2)32-34(28(25)36)24(35)15-33-23-11-7-6-10-20(23)26-27(33)31-21-13-12-19(29)14-22(21)30-26/h3-14H,15H2,1-2H3
InChI Key:
LUHIXKNTZURMEF-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc1c(n2)n(c2c1cccc2)CC(=O)N1N=C(C(=C(c2ccccc2)C)C1=O)C
Properties
Complexity:
960
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.131g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
493.951g/mol
Monoisotopic Mass:
493.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
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