1-(4-fluorophenyl)-3-methyl-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(4-fluorophenyl)-3-methyl-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(4-fluorophenyl)-3-methyl-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0401 |
| Compound Name: | 1-(4-fluorophenyl)-3-methyl-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 421.41 |
| Molecular Formula: | C20 H15 F4 N3 O S |
| Smiles: | Cc1c2C(c3ccccc3C(F)(F)F)SCC(Nc2n(c2ccc(cc2)F)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4286 |
| logD: | 4.4285 |
| logSw: | -4.4159 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.422 |
| InChI Key: | RRVCUKLNGFKFSE-GOSISDBHSA-N |