3,3'-[oxybis(4,1-phenyleneazanediyl)]bis{6-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5(4H)-one}
Chemical Structure Depiction of
3,3'-[oxybis(4,1-phenyleneazanediyl)]bis{6-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5(4H)-one}
3,3'-[oxybis(4,1-phenyleneazanediyl)]bis{6-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5(4H)-one}
Compound characteristics
| Compound ID: | C102-0038 |
| Compound Name: | 3,3'-[oxybis(4,1-phenyleneazanediyl)]bis{6-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5(4H)-one} |
| Molecular Weight: | 630.66 |
| Molecular Formula: | C34 H30 N8 O5 |
| Smiles: | COc1ccc(CC2C(NC(Nc3ccc(cc3)Oc3ccc(cc3)NC3NC(C(Cc4ccc(cc4)OC)=NN=3)=O)=NN=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0304 |
| logD: | 6.0302 |
| logSw: | -5.5603 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 131.109 |
| InChI Key: | NCIMPPGSHXFLEA-UHFFFAOYSA-N |