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Home > Indoles and Oxindole > 1140964-99-3
1140964-99-3 | 3H-Pyridazino[3,4,5-de]quinazolin-3-one, 8-[(1,3-dihydro-2H-isoindol-2-yl)methyl]-1,2-dihydro-
CAS No: 1140964-99-3 Catalog No: AG000AK3 MDL No:
Product Description
Catalog Number:
AG000AK3
Chemical Name:
3H-Pyridazino[3,4,5-de]quinazolin-3-one, 8-[(1,3-dihydro-2H-isoindol-2-yl)methyl]-1,2-dihydro-
CAS Number:
1140964-99-3
Molecular Formula:
C18H15N5O
Molecular Weight:
317.3446
IUPAC Name:
11-(1,3-dihydroisoindol-2-ylmethyl)-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8,11-pentaen-4-one
InChI:
InChI=1S/C18H15N5O/c24-18-13-6-3-7-14-16(13)17(21-22-18)20-15(19-14)10-23-8-11-4-1-2-5-12(11)9-23/h1-7H,8-10H2,(H,22,24)(H,19,20,21)
InChI Key:
JLFSBHQQXIAQEC-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]c2c3c1cccc3nc(n2)CN1Cc2c(C1)cccc2
UNII:
9X5A2QIA7C
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.128g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.352g/mol
Monoisotopic Mass:
317.128g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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