1-(4-fluorophenyl)-3-methyl-4-(pyridin-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(4-fluorophenyl)-3-methyl-4-(pyridin-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(4-fluorophenyl)-3-methyl-4-(pyridin-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0525 |
| Compound Name: | 1-(4-fluorophenyl)-3-methyl-4-(pyridin-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 354.4 |
| Molecular Formula: | C18 H15 F N4 O S |
| Smiles: | Cc1c2C(c3cccnc3)SCC(Nc2n(c2ccc(cc2)F)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4113 |
| logD: | 2.4109 |
| logSw: | -2.2795 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.94 |
| InChI Key: | OWNULNNXNDOTBV-QGZVFWFLSA-N |