2-{4-[1-(4-fluorophenyl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-methoxyphenoxy}acetamide
Chemical Structure Depiction of
2-{4-[1-(4-fluorophenyl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-methoxyphenoxy}acetamide
2-{4-[1-(4-fluorophenyl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-methoxyphenoxy}acetamide
Compound characteristics
| Compound ID: | D302-0504 |
| Compound Name: | 2-{4-[1-(4-fluorophenyl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-methoxyphenoxy}acetamide |
| Molecular Weight: | 456.49 |
| Molecular Formula: | C22 H21 F N4 O4 S |
| Smiles: | Cc1c2C(c3ccc(c(c3)OC)OCC(N)=O)SCC(Nc2n(c2ccc(cc2)F)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8657 |
| logD: | 1.8656 |
| logSw: | -2.75 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.026 |
| InChI Key: | NSPJKQNTWNASIA-OAQYLSRUSA-N |