C21H21N5O2S structure

C21H21N5O2S

(Z)-1-(4-methoxyphenyl)-N-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-ylmethoxy)ethanimine

Also Known As: SR-01000114391-1|(1Z)-1-(4-methoxyphenyl)-N-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethoxy)ethanimine|(Z)-1-(4-methoxyphenyl)ethanone O-((8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl) oxime

CAS: 586997-58-2
Molecular Formula C21H21N5O2S
Molecular Weight 407.1416 g/mol
LogP 4.1672
Topological Polar Surface Area 73.9 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 5
Exact Mass 407.1416
Monoisotopic Mass 407.1416
Heavy Atoms 29
Complexity 1209.4937

Chemical Identifiers

CAS Number 586997-58-2
SMILES C/C(=N/OCC1=NN2C=NC3=C(C2=N1)C4=C(S3)CCCC4)/C5=CC=C(C=C5)OC

Product Overview

C21H21N5O2S (CAS 586997-58-2), with molecular formula C21H21N5O2S and molecular weight 407.1416 g/mol. IUPAC: (Z)-1-(4-methoxyphenyl)-N-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-ylmethoxy)ethanimine.

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