5-{4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-{4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-{4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8009-4007 |
| Compound Name: | 5-{4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 542.05 |
| Molecular Formula: | C33 H29 Cl F N O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)OC)OCc3c(cccc3[Cl])F)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.4018 |
| logD: | 7.4018 |
| logSw: | -6.7947 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.876 |
| InChI Key: | DJDXLEFFOFEEID-YTTGMZPUSA-N |