4-{2-[(4-fluorophenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-{2-[(4-fluorophenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-{2-[(4-fluorophenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2661 |
| Compound Name: | 4-{2-[(4-fluorophenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 383.44 |
| Molecular Formula: | C20 H18 F N3 O2 S |
| Smiles: | Cc1c2C(c3ccccc3OCc3ccc(cc3)F)SCC(Nc2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7258 |
| logD: | 3.7255 |
| logSw: | -4.0884 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.347 |
| InChI Key: | JJJQRWOPGHCLHW-LJQANCHMSA-N |