5-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 2144-0967 |
| Compound Name: | 5-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 649.96 |
| Molecular Formula: | C33 H29 Cl I N O3 |
| Smiles: | CC1(C)CC2=C(C(c3cc(c(c(c3)I)OCc3ccc(cc3)[Cl])OC)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.5075 |
| logD: | 8.5075 |
| logSw: | -7.0655 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.963 |
| InChI Key: | MZWGTDARIBYOMD-HKBQPEDESA-N |