4-(2,5-difluorophenyl)-3-methyl-1-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(2,5-difluorophenyl)-3-methyl-1-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(2,5-difluorophenyl)-3-methyl-1-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0278 |
| Compound Name: | 4-(2,5-difluorophenyl)-3-methyl-1-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 385.43 |
| Molecular Formula: | C20 H17 F2 N3 O S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(c3cc(ccc3F)F)SCC(N2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.305 |
| logD: | 4.305 |
| logSw: | -4.2577 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.422 |
| InChI Key: | KHPKSQAHSDCUPS-LJQANCHMSA-N |