4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 4-bromobenzoate
Chemical Structure Depiction of
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 4-bromobenzoate
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 4-bromobenzoate
Compound characteristics
| Compound ID: | 8014-8149 |
| Compound Name: | 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 4-bromobenzoate |
| Molecular Weight: | 582.49 |
| Molecular Formula: | C33 H28 Br N O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)OC)OC(c3ccc(cc3)[Br])=O)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5604 |
| logD: | 7.5604 |
| logSw: | -7.0319 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.027 |
| InChI Key: | NISYVLCKNTUMJD-HKBQPEDESA-N |