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320422-08-0 | (3E)-1-[(4-methylphenyl)methyl]-3-[2-(4-nitrophenyl)hydrazin-1-ylidene]-2,3-dihydro-1H-indol-2-one
CAS No: 320422-08-0 Catalog No: AG00IO0X MDL No:MFCD01314822
Product Description
Catalog Number:
AG00IO0X
Chemical Name:
(3E)-1-[(4-methylphenyl)methyl]-3-[2-(4-nitrophenyl)hydrazin-1-ylidene]-2,3-dihydro-1H-indol-2-one
CAS Number:
320422-08-0
Molecular Formula:
C22H18N4O3
Molecular Weight:
386.4033
MDL Number:
MFCD01314822
IUPAC Name:
1-[(4-methylphenyl)methyl]-3-[(4-nitrophenyl)diazenyl]indol-2-ol
InChI:
InChI=1S/C22H18N4O3/c1-15-6-8-16(9-7-15)14-25-20-5-3-2-4-19(20)21(22(25)27)24-23-17-10-12-18(13-11-17)26(28)29/h2-13,27H,14H2,1H3
InChI Key:
UKGMBVBBUTUNBG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CN1C(=O)/C(=N/Nc2ccc(cc2)[N+](=O)[O-])/c2c1cccc2
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.138g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.411g/mol
Monoisotopic Mass:
386.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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