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163419-33-8 | Cyclopent[ef]imidazo[4,5,1-jk][1,4]benzodiazepine (9CI)
CAS No: 163419-33-8 Catalog No: AG001U3L MDL No:
Product Description
Catalog Number:
AG001U3L
Chemical Name:
Cyclopent[ef]imidazo[4,5,1-jk][1,4]benzodiazepine (9CI)
CAS Number:
163419-33-8
Molecular Formula:
C12H7N3
Molecular Weight:
193.2041
IUPAC Name:
2,4,7-triazatetracyclo[6.5.2.04,14.011,15]pentadeca-1(14),2,5,7,9,11(15),12-heptaene
InChI:
InChI=1S/C12H7N3/c1-3-9-11-8(1)2-4-10-12(11)15(7-14-10)6-5-13-9/h1-7H
InChI Key:
OHTRKKQVVLQKIX-UHFFFAOYSA-N
SMILES:
c1nc2ccc3c2c2n(c1)cnc2cc3
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.209g/mol
Monoisotopic Mass:
193.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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