Basic information
- CAS
6207-22-3- Standard SMILES
COc1ccc(C2C3=C(Nc4ncnn42)c2ccccc2OC3c2cccc(OC)c2)cc1- InChIKey
IZONCLVGACSPIE-UHFFFAOYSA-N- Molecular formula
- C26H22N4O3
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.16919058
Names & identifiers
- Preferred name
- 9-(3-Methoxyphenyl)-11-(4-methoxyphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
- IUPAC
- 9-(3-methoxyphenyl)-11-(4-methoxyphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
Names & synonyms
6207-22-39-(3-Methoxyphenyl)-11-(4-methoxyphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaeneAGN-PC-05WBJHDTXSID90421962AKOS002142759AKOS021651140SR-01000586906SR-01000586906-16-(3-methoxyphenyl)-7-(4-methoxyphenyl)-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine6-(3-Methoxyphenyl)-7-(4-methoxyphenyl)-7,9-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Database identifiers
- CAS
6207-22-3- PubChem CID
- 5254530
- DTXSID
DTXSID90421962
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 724
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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