AC1NIOWA structure

AC1NIOWA

14-(3-chlorophenyl)-15-hydrazinyl-4,4,8-trimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),15-pentaen-13-one

Also Known As: 9-(3-chlorophenyl)-10-hydrazinyl-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one|9-(3-chlorophenyl)-10-hydrazinyl-2,2,5-trimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one

CAS: 896068-69-2
Molecular Formula C21H20ClN5O2S
Molecular Weight 441.10263 g/mol
LogP 4.09412
Topological Polar Surface Area 95.06 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 2
Exact Mass 441.10263
Monoisotopic Mass 441.10263
Heavy Atoms 30
Complexity 1392.1726

Chemical Identifiers

CAS Number 896068-69-2
SMILES CC1=C2COC(CC2=C3C4=C(C(=O)N(C(=N4)NN)C5=CC(=CC=C5)Cl)SC3=N1)(C)C

Product Overview

AC1NIOWA (CAS 896068-69-2), with molecular formula C21H20ClN5O2S and molecular weight 441.10263 g/mol. IUPAC: 14-(3-chlorophenyl)-15-hydrazinyl-4,4,8-trimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),15-pentaen-13-one.

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