UNII-7XPP3587EJ structure

UNII-7XPP3587EJ

2,12-dichloro-6,16-dimethyl-10,20-dithia-4,5,7,8,14,15,17,18-octazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3,6,8,11,13,16,18-octaene

Also Known As: dichloro(dimethyl)[?]|5,11-Dichloro-3,9-dimethyl-6,12-dithia-1,2,3a,4,7,8,9a,10-octaaza-dicyclopenta(b,i)anthracene|6,13-dichloro-3,10-dimethylbistriazolobisthiadiazine|1,2,4-TRIAZOLO(3,4-B)(1,2,4)TRIAZOLO(3',4':2,3)(1,3,4)THIADIAZINO(6,5-G)(1,3,4)BENZOTHIADIAZINE, 6,13-DICHLORO-3,10-DIMETHYL-|6,13-DICHLORO-3,10-DIMETHYL-1,2,4-TRIAZOLO(3,4-B)(1,2,4)TRIAZOLO(3',4':2,3)(1,3,4)THIADIAZINO(6,5-G)(1,3,4)BENZOTHIADIAZINE|5,11-Dichloro-3,9-dimethyl-6,12-dithia-1,2,3a,4,7,8,9a,10-octaaza-dicyclopenta[b,i]anthracene|6,13-Dichloro-3,10-dimethylbis[1,2,4]triazolo[3,4-b:3,4-b']benzo[1,2-e:4,5-e']bis[1,3,4]thiadiazine

CAS: 69560-87-8
Molecular Formula C12H6Cl2N8S2
Molecular Weight 395.9534 g/mol
LogP 2.6
Topological Polar Surface Area 137.0 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
Rotatable Bonds 0
Exact Mass 395.9534
Monoisotopic Mass 395.9534
Heavy Atoms 24
Complexity 687.0

Chemical Identifiers

CAS Number 69560-87-8
SMILES CC1=NN=C2N1N=C3C(=C(C4=NN5C(=NN=C5SC4=C3Cl)C)Cl)S2
InChIKey IPNGGVLIFDQZDO-UHFFFAOYSA-N

Product Overview

UNII-7XPP3587EJ (CAS 69560-87-8), with molecular formula C12H6Cl2N8S2 and molecular weight 395.9534 g/mol. IUPAC: 2,12-dichloro-6,16-dimethyl-10,20-dithia-4,5,7,8,14,15,17,18-octazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3,6,8,11,13,16,18-octaene.

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