9-(5-bromo-2-methoxyphenyl)-5-[(5-bromo-2-methoxyphenyl)methylidene]-4,5,6,7,8,9-hexahydrotetrazolo[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-hexahydrotetrazolo[5,1-b]quinazoline
9-(5-bromo-2-methoxyphenyl)-5-[(5-bromo-2-methoxyphenyl)methylidene]-4,5,6,7,8,9-hexahydrotetrazolo[5,1-b]quinazoline
Compound characteristics
| Compound ID: | K832-3678 |
| Compound Name: | 9-(5-bromo-2-methoxyphenyl)-5-[(5-bromo-2-methoxyphenyl)methylidene]-4,5,6,7,8,9-hexahydrotetrazolo[5,1-b]quinazoline |
| Molecular Weight: | 559.26 |
| Molecular Formula: | C23 H21 Br2 N5 O2 |
| Smiles: | COc1ccc(cc1\C=C1/CCCC2C(c3cc(ccc3OC)[Br])n3c(NC1=2)nnn3)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2711 |
| logD: | 6.2711 |
| logSw: | -5.5862 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.934 |
| InChI Key: | KEBVPDZMKGAQDE-JOCHJYFZSA-N |