9-(5-bromo-2-methoxyphenyl)-5-[(5-bromo-2-methoxyphenyl)methylidene]-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline
Chemical Structure Depiction of
9-(5-bromo-2-methoxyphenyl)-5-[(5-bromo-2-methoxyphenyl)methylidene]-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline
9-(5-bromo-2-methoxyphenyl)-5-[(5-bromo-2-methoxyphenyl)methylidene]-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline
Compound characteristics
| Compound ID: | K832-3679 |
| Compound Name: | 9-(5-bromo-2-methoxyphenyl)-5-[(5-bromo-2-methoxyphenyl)methylidene]-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazoline |
| Molecular Weight: | 558.27 |
| Molecular Formula: | C24 H22 Br2 N4 O2 |
| Smiles: | COc1ccc(cc1\C=C1/CCCC2C(c3cc(ccc3OC)[Br])n3c(NC1=2)ncn3)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6114 |
| logD: | 6.6114 |
| logSw: | -5.8583 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.457 |
| InChI Key: | GUVKDZXEVFSFLY-HSZRJFAPSA-N |