1-(2,2-dimethyloxan-4-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-(2,2-dimethyloxan-4-yl)-4-(4-fluorophenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2,2-dimethyloxan-4-yl)-4-(4-fluorophenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D066-0082 |
| Compound Name: | 1-(2,2-dimethyloxan-4-yl)-4-(4-fluorophenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 391.46 |
| Molecular Formula: | C19 H22 F N3 O3 S |
| Smiles: | CC1(C)CC(CCO1)n1c2c(C(c3ccc(cc3)F)SCC(N2)=O)c(n1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6212 |
| logD: | 1.9789 |
| logSw: | -2.8536 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.838 |
| InChI Key: | QQWPWGRDPDXRSP-UHFFFAOYSA-N |