4-(4-ethoxy-3-methoxyphenyl)-1-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4-ethoxy-3-methoxyphenyl)-1-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-ethoxy-3-methoxyphenyl)-1-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0377 |
| Compound Name: | 4-(4-ethoxy-3-methoxyphenyl)-1-(4-fluorophenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C22 H22 F N3 O3 S |
| Smiles: | CCOc1ccc(cc1OC)C1c2c(C)nn(c3ccc(cc3)F)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.626 |
| logD: | 3.6259 |
| logSw: | -3.9043 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.263 |
| InChI Key: | SGCCBSYKYTZLDJ-OAQYLSRUSA-N |