3-methyl-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-methyl-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-methyl-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2598 |
| Compound Name: | 3-methyl-4-[2-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 327.33 |
| Molecular Formula: | C14 H12 F3 N3 O S |
| Smiles: | Cc1c2C(c3ccccc3C(F)(F)F)SCC(Nc2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8126 |
| logD: | 2.8123 |
| logSw: | -3.5609 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.033 |
| InChI Key: | DOVHYFNZOOLXNS-GFCCVEGCSA-N |