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189393-17-7 | 6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 8-bromo-2-chloro-11-ethyl-5,11-dihydro-5-methyl-
CAS No: 189393-17-7 Catalog No: AG002DMO MDL No:
Product Description
Catalog Number:
AG002DMO
Chemical Name:
6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 8-bromo-2-chloro-11-ethyl-5,11-dihydro-5-methyl-
CAS Number:
189393-17-7
Molecular Formula:
C14H12BrClN4O
Molecular Weight:
367.6283
IUPAC Name:
13-bromo-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
InChI:
InChI=1S/C14H12BrClN4O/c1-3-20-12-9(6-8(15)7-17-12)14(21)19(2)10-4-5-11(16)18-13(10)20/h4-7H,3H2,1-2H3
InChI Key:
XTNKGNXBMWKAIJ-UHFFFAOYSA-N
SMILES:
CCn1c2ncc(cc2c(=O)n(c2c1nc(Cl)cc2)C)Br
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.988g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.631g/mol
Monoisotopic Mass:
365.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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