1-(1,3-benzothiazol-2-yl)-3-methyl-4-[3-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(1,3-benzothiazol-2-yl)-3-methyl-4-[3-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(1,3-benzothiazol-2-yl)-3-methyl-4-[3-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 8019-6643 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-3-methyl-4-[3-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 460.5 |
| Molecular Formula: | C21 H15 F3 N4 O S2 |
| Smiles: | Cc1c2C(c3cccc(c3)C(F)(F)F)SCC(Nc2n(c2nc3ccccc3s2)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4649 |
| logD: | 5.461 |
| logSw: | -5.5796 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.958 |
| InChI Key: | ZIRQTKLOIJVEET-GOSISDBHSA-N |