1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4-[4-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4-[4-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4-[4-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 8019-7280 |
| Compound Name: | 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4-[4-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 490.52 |
| Molecular Formula: | C22 H17 F3 N4 O2 S2 |
| Smiles: | Cc1c2C(c3ccc(cc3)C(F)(F)F)SCC(Nc2n(c2nc3ccc(cc3s2)OC)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5061 |
| logD: | 5.3493 |
| logSw: | -5.4978 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.501 |
| InChI Key: | GTNMODCMOWGXQK-LJQANCHMSA-N |