1-(butan-2-yl)-4-(4-fluorophenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(butan-2-yl)-4-(4-fluorophenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(butan-2-yl)-4-(4-fluorophenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D068-0074 |
| Compound Name: | 1-(butan-2-yl)-4-(4-fluorophenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C16 H18 F N3 O2 S |
| Smiles: | CCC(C)n1c2c(C(c3ccc(cc3)F)SCC(N2)=O)c(n1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8061 |
| logD: | 2.1638 |
| logSw: | -3.2333 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.994 |
| InChI Key: | DPJBQLZWZOXUEU-UHFFFAOYSA-N |