4-[4-(benzyloxy)phenyl]-1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-[4-(benzyloxy)phenyl]-1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-[4-(benzyloxy)phenyl]-1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D068-0177 |
| Compound Name: | 4-[4-(benzyloxy)phenyl]-1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C26 H29 N3 O4 S |
| Smiles: | CC1(C)CC(CCO1)n1c2c(C(c3ccc(cc3)OCc3ccccc3)SCC(N2)=O)c(n1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0064 |
| logD: | 3.3642 |
| logSw: | -4.088 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.065 |
| InChI Key: | VUBPKHDNRXYMMK-UHFFFAOYSA-N |