1-(4-fluorophenyl)-3-methyl-4-(2,3,4-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(4-fluorophenyl)-3-methyl-4-(2,3,4-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(4-fluorophenyl)-3-methyl-4-(2,3,4-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0478 |
| Compound Name: | 1-(4-fluorophenyl)-3-methyl-4-(2,3,4-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C22 H22 F N3 O4 S |
| Smiles: | Cc1c2C(c3ccc(c(c3OC)OC)OC)SCC(Nc2n(c2ccc(cc2)F)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4834 |
| logD: | 3.4834 |
| logSw: | -3.7861 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.487 |
| InChI Key: | NZXPSFHHKVRKIF-OAQYLSRUSA-N |