5-{1-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-{1-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-{1-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8009-3104 |
| Compound Name: | 5-{1-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 578.54 |
| Molecular Formula: | C35 H29 Cl2 N3 O |
| Smiles: | CC1(C)CC2=C(C(c3cn(Cc4ccc(c(c4)[Cl])[Cl])nc3c3ccccc3)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.2469 |
| logD: | 8.2469 |
| logSw: | -6.8601 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.712 |
| InChI Key: | XFCWMUFGAQYFEK-UMSFTDKQSA-N |