5-(3,4-dihydroxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-(3,4-dihydroxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-(3,4-dihydroxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 0820-0923 |
| Compound Name: | 5-(3,4-dihydroxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C25 H23 N O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)O)O)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5551 |
| logD: | 4.5286 |
| logSw: | -4.8776 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 58.028 |
| InChI Key: | PGVDUACKRTUDIA-DEOSSOPVSA-N |