4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 4-nitrobenzoate
Chemical Structure Depiction of
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 4-nitrobenzoate
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 8014-4263 |
| Compound Name: | 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 4-nitrobenzoate |
| Molecular Weight: | 548.6 |
| Molecular Formula: | C33 H28 N2 O6 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)OC)OC(c3ccc(cc3)[N+]([O-])=O)=O)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6522 |
| logD: | 6.6522 |
| logSw: | -6.8166 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.408 |
| InChI Key: | HCQVSZZBAKJRST-HKBQPEDESA-N |