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
| 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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