CHEMBL3813974
5-[(E)-4,5-dihydropyrimido[5,4-b]indol-3-yliminomethyl]-6-methyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
Also Known As: (E)-10-(((4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino)methyl)-9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one|10-[(E)-(4,5-dihydro-3H-pyrimido[5,4-b]indol-3-ylimino)methyl]-9-methyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one
CAS: 1801159-79-4
| Molecular Formula | C27H25N5O2 |
|---|---|
| Molecular Weight | 451.20084 g/mol |
| LogP | 4.79102 |
| Topological Polar Surface Area | 77.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 451.20084 |
| Monoisotopic Mass | 451.20084 |
| Heavy Atoms | 34 |
| Complexity | 1590.6519 |
Chemical Identifiers
| CAS Number | 1801159-79-4 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=C3CCCN4C3=C2CCC4)/C=N/N5CC6=C(C7=CC=CC=C7N6)N=C5 |
Product Overview
CHEMBL3813974 (CAS 1801159-79-4), with molecular formula C27H25N5O2 and molecular weight 451.20084 g/mol. IUPAC: 5-[(E)-4,5-dihydropyrimido[5,4-b]indol-3-yliminomethyl]-6-methyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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