AC1LXQ3Z structure

AC1LXQ3Z

4-(1,3-benzodioxol-5-yl)-7,14,14-trimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

Also Known As: 2-(1,3-benzodioxol-5-yl)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|2-(benzo[d][1,3]dioxol-5-yl)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

CAS: 896833-71-9
Molecular Formula C20H18N4O3S
Molecular Weight 394.10995 g/mol
LogP 3.89442
Topological Polar Surface Area 70.77 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 1
Exact Mass 394.10995
Monoisotopic Mass 394.10995
Heavy Atoms 28
Complexity 1273.9131

Chemical Identifiers

CAS Number 896833-71-9
SMILES CC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NC(=NN14)C5=CC6=C(C=C5)OCO6

Product Overview

AC1LXQ3Z (CAS 896833-71-9), with molecular formula C20H18N4O3S and molecular weight 394.10995 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-7,14,14-trimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.

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