AC1LYRU5
17-(1,3-benzodioxol-5-ylmethyl)-13-[(2-chlorophenyl)methyl]-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: 11-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one|11-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
| Molecular Formula | C27H18ClN5O3 |
|---|---|
| Molecular Weight | 495.1098 g/mol |
| LogP | 4.7731 |
| Topological Polar Surface Area | 84.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.1098 |
| Monoisotopic Mass | 495.1098 |
| Heavy Atoms | 36 |
| Complexity | 1877.7635 |
Chemical Identifiers
| CAS Number | 839701-01-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C4=C(C5=NC6=CC=CC=C6N=C53)C(=O)N(C=N4)CC7=CC=CC=C7Cl |
Product Overview
AC1LYRU5 (CAS 839701-01-8), with molecular formula C27H18ClN5O3 and molecular weight 495.1098 g/mol. IUPAC: 17-(1,3-benzodioxol-5-ylmethyl)-13-[(2-chlorophenyl)methyl]-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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