4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl adamantane-1-carboxylate
Chemical Structure Depiction of
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl adamantane-1-carboxylate
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | 8014-7432 |
| Compound Name: | 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl adamantane-1-carboxylate |
| Molecular Weight: | 561.72 |
| Molecular Formula: | C37 H39 N O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)OC)OC(C34CC5CC(CC(C5)C4)C3)=O)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.3716 |
| logD: | 8.3716 |
| logSw: | -7.1186 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.06 |
| InChI Key: | JBHCATPUYGJMIY-RVJHDCTLSA-N |