1-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]-2-[4-(methylsulfanyl)phenyl]-1,3-diazinane
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]-2-[4-(methylsulfanyl)phenyl]-1,3-diazinane
1-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]-2-[4-(methylsulfanyl)phenyl]-1,3-diazinane
Compound characteristics
| Compound ID: | C484-1113 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl]-2-[4-(methylsulfanyl)phenyl]-1,3-diazinane |
| Molecular Weight: | 455.04 |
| Molecular Formula: | C26 H28 Cl F N2 S |
| Smiles: | Cc1ccccc1CN1CCCN(Cc2ccc(cc2[Cl])F)C1c1ccc(cc1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3227 |
| logD: | 7.3109 |
| logSw: | -6.6402 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 6.7124 |
| InChI Key: | DDFZBPVPNATWMN-SANMLTNESA-N |