1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4-(2-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4-(2-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4-(2-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 8016-9336 |
| Compound Name: | 1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4-(2-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C20 H25 N3 O4 S |
| Smiles: | CC1(C)CC(CCO1)n1c2c(C(c3ccccc3OC)SCC(N2)=O)c(n1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6687 |
| logD: | 2.0265 |
| logSw: | -3.0274 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.468 |
| InChI Key: | UEPNIWSBMBAOKJ-UHFFFAOYSA-N |