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116992-21-3 | 5H-Naphtho[2,1-b]pyrido[3,2-e][1,4]thiazin-5-one, 2,6,9-trichloro-
CAS No: 116992-21-3 Catalog No: AG000DH2 MDL No:
Product Description
Catalog Number:
AG000DH2
Chemical Name:
5H-Naphtho[2,1-b]pyrido[3,2-e][1,4]thiazin-5-one, 2,6,9-trichloro-
CAS Number:
116992-21-3
Molecular Formula:
C15H5Cl3N2OS
Molecular Weight:
367.6370
IUPAC Name:
4,9,14-trichloro-11-thia-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,9,12(17),13,15-octaen-8-one
InChI:
InChI=1S/C15H5Cl3N2OS/c16-6-1-2-7-8(5-6)12-14(11(18)13(7)21)22-15-9(19-12)3-4-10(17)20-15/h1-5H
InChI Key:
SWPGGGIDZBNYDJ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c1nc3ccc(nc3sc1c(c2=O)Cl)Cl
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.919g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.628g/mol
Monoisotopic Mass:
365.919g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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