3-methyl-1-(4-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-methyl-1-(4-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-methyl-1-(4-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0405 |
| Compound Name: | 3-methyl-1-(4-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 417.45 |
| Molecular Formula: | C21 H18 F3 N3 O S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(c3ccccc3C(F)(F)F)SCC(N2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8229 |
| logD: | 4.8228 |
| logSw: | -4.5661 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.422 |
| InChI Key: | HPTJHZHOXPMBEG-LJQANCHMSA-N |