4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8009-2909 |
| Compound Name: | 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 557.64 |
| Molecular Formula: | C32 H28 F N O5 S |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)OC)OS(c3ccc(cc3)F)(=O)=O)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3292 |
| logD: | 6.3292 |
| logSw: | -6.9452 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.41 |
| InChI Key: | SCFQGIKXYIEBHB-HKBQPEDESA-N |