4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
Chemical Structure Depiction of
4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
Compound characteristics
| Compound ID: | 8013-7945 |
| Compound Name: | 4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene |
| Molecular Weight: | 422.32 |
| Molecular Formula: | C22 H20 Br N3 O |
| Smiles: | COc1ccc(cc1)C1=Nn2cc(c3ccc(cc3)[Br])c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 6.4002 |
| logD: | 6.4002 |
| logSw: | -5.6132 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 23.6881 |
| InChI Key: | XVQWCJRQWYVABF-UHFFFAOYSA-N |