2,4,6-Tris[(4-methoxyphenyl)methoxy]-1,3,5-triazine
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CAS Number 848641-17-8
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Catalog Number io-406983
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Molecular Weight 489.5000
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SMILES COC1=CC=C(C=C1)COC2=NC(=NC(=N2)OCC3=CC=C(C=C3)OC)OCC4=CC=C(C=C4)OC
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | CHEMBL359943 |
| 2 | SCHEMBL14958421 |
| Molecular Formula | C27H27N3O6 |
|---|---|
| Canonical SMILES | COC1=CC=C(C=C1)COC2=NC(=NC(=N2)OCC3=CC=C(C=C3)OC)OCC4=CC=C(C=C4)OC |
| Isomeric SMILES | COC1=CC=C(C=C1)COC2=NC(=NC(=N2)OCC3=CC=C(C=C3)OC)OCC4=CC=C(C=C4)OC |
| Molecular Weight | 489.5000 |
| InChIKey | NPLHZQWAUHNHAL-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H27N3O6/c1-31-22-10-4-19(5-11-22)16-34-25-28-26(35-17-20-6-12-23(32-2)13-7-20)30-27(29-25)36-18-21-8-14-24(33-3)15-9-21/h4-15H,16-18H2,1-3H3 |
| XLogP | 5.3000 |
| ExactMass | 489.1900 |
| MonoisotopicMass | 489.1900 |
| TPSA | 94.1000 |
| Complexity | 499.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 9 |
| RotatableBondCount | 12 |
| HeavyAtomCount | 36 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 15 |
| PatentFamilyCount | 2 |
| LiteratureCount | 2 |
