2,2-dimethyl-5-(3-phenyl-1H-pyrazol-4-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
2,2-dimethyl-5-(3-phenyl-1H-pyrazol-4-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
2,2-dimethyl-5-(3-phenyl-1H-pyrazol-4-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8009-4156 |
| Compound Name: | 2,2-dimethyl-5-(3-phenyl-1H-pyrazol-4-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 419.53 |
| Molecular Formula: | C28 H25 N3 O |
| Smiles: | CC1(C)CC2=C(C(c3c[nH]nc3c3ccccc3)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5646 |
| logD: | 5.5646 |
| logSw: | -6.6906 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.122 |
| InChI Key: | YMMNSAGZQYRRIQ-MHZLTWQESA-N |