5-[4-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-[4-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-[4-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8011-8520 |
| Compound Name: | 5-[4-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 371.5 |
| Molecular Formula: | C24 H21 N O S |
| Smiles: | CSc1ccc(cc1)C1C2=C(CCCC2=O)c2c(ccc3ccccc23)N1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7886 |
| logD: | 5.7886 |
| logSw: | -6.8316 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.9318 |
| InChI Key: | CTJZAPPHMVMAMW-DEOSSOPVSA-N |