AC1MQK9I structure

AC1MQK9I

13-[(4-chlorophenyl)methyl]-17-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one

Also Known As: 3-(4-chlorobenzyl)-11-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one|3-(4-chlorobenzyl)-11-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one

CAS: 836626-55-2
Molecular Formula C27H18ClN5O3
Molecular Weight 495.1098 g/mol
LogP 4.7565
Topological Polar Surface Area 84.06 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 3
Exact Mass 495.1098
Monoisotopic Mass 495.1098
Heavy Atoms 36
Complexity 1860.5135

Chemical Identifiers

CAS Number 836626-55-2
SMILES C1COC2=C(O1)C=CC(=C2)N3C4=C(C5=NC6=CC=CC=C6N=C53)C(=O)N(C=N4)CC7=CC=C(C=C7)Cl

Product Overview

AC1MQK9I (CAS 836626-55-2), with molecular formula C27H18ClN5O3 and molecular weight 495.1098 g/mol. IUPAC: 13-[(4-chlorophenyl)methyl]-17-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.

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