5-(4-bromophenyl)-2-(4-butoxyphenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-(4-bromophenyl)-2-(4-butoxyphenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-(4-bromophenyl)-2-(4-butoxyphenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 1132-1072 |
| Compound Name: | 5-(4-bromophenyl)-2-(4-butoxyphenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 552.51 |
| Molecular Formula: | C33 H30 Br N O2 |
| Smiles: | CCCCOc1ccc(cc1)C1CC2=C(C(c3ccc(cc3)[Br])Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.966 |
| logD: | 8.966 |
| logSw: | -6.9655 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.078 |
| InChI Key: | XUBGKVMJZNTWOM-UHFFFAOYSA-N |