4-{4-[(3-fluorophenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-{4-[(3-fluorophenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-{4-[(3-fluorophenyl)methoxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2682 |
| Compound Name: | 4-{4-[(3-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(c3ccc(cc3)OCc3cccc(c3)F)SCC(Nc2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6004 |
| logD: | 3.6001 |
| logSw: | -3.8953 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.26 |
| InChI Key: | VJCWIAMUCVRWAD-LJQANCHMSA-N |