4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0447 |
| Compound Name: | 4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C21 H20 F N3 O3 S |
| Smiles: | Cc1c2C(c3ccc(c(c3)OC)OC)SCC(Nc2n(c2ccc(cc2)F)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2804 |
| logD: | 3.2803 |
| logSw: | -3.5602 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.683 |
| InChI Key: | PLLIDMCXADIWLN-HXUWFJFHSA-N |