5-{2-[(4-chlorophenyl)sulfanyl]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-{2-[(4-chlorophenyl)sulfanyl]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-{2-[(4-chlorophenyl)sulfanyl]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 3175-0448 |
| Compound Name: | 5-{2-[(4-chlorophenyl)sulfanyl]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 496.07 |
| Molecular Formula: | C31 H26 Cl N O S |
| Smiles: | CC1(C)CC2=C(C(c3ccccc3Sc3ccc(cc3)[Cl])Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.1278 |
| logD: | 8.1278 |
| logSw: | -6.9563 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.6602 |
| InChI Key: | FNEJACRQOONFTA-PMERELPUSA-N |