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131515-03-2 | Imidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one,6-(2E,4E)-2,4-hexadien-1-yl-4,5,6,7-tetrahydro-5-methyl-
CAS No: 131515-03-2 Catalog No: AG00734S MDL No:
Product Description
Catalog Number:
AG00734S
Chemical Name:
Imidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one,6-(2E,4E)-2,4-hexadien-1-yl-4,5,6,7-tetrahydro-5-methyl-
CAS Number:
131515-03-2
Molecular Formula:
C17H21N3O
Molecular Weight:
283.3681
IUPAC Name:
10-hexa-2,4-dienyl-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
InChI:
InChI=1S/C17H21N3O/c1-3-4-5-6-10-19-12-14-8-7-9-15-16(14)20(11-13(19)2)17(21)18-15/h3-9,13H,10-12H2,1-2H3,(H,18,21)
InChI Key:
UOSACRMVSHRISH-UHFFFAOYSA-N
SMILES:
C/C=C/C=C/CN1Cc2cccc3c2n(CC1C)c(=O)[nH]3
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.375g/mol
Monoisotopic Mass:
283.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
2.3
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