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Home > Indoles and Oxindole > 147225-67-0
147225-67-0 | 2-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 147225-67-0 Catalog No: AG01EIJU MDL No:
Product Description
Catalog Number:
AG01EIJU
Chemical Name:
2-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
147225-67-0
Molecular Formula:
C22H15N5O2
Molecular Weight:
381.3868
IUPAC Name:
2-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]isoindole-1,3-dione
InChI:
InChI=1S/C22H19N5O2/c28-21-18-7-3-4-8-19(18)22(29)27(21)13-14-9-11-15(12-10-14)16-5-1-2-6-17(16)20-23-25-26-24-20/h1-12,20,23-26H,13H2
InChI Key:
VFDPLAYXIIPLGT-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccc(cc2)c2ccccc2c2n[nH]nn2)C(=O)c2c1cccc2
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.154g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
385.427g/mol
Monoisotopic Mass:
385.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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