1-(2,2-dimethyloxan-4-yl)-4-(2-ethoxyphenyl)-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-(2-ethoxyphenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2,2-dimethyloxan-4-yl)-4-(2-ethoxyphenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 8016-9337 |
| Compound Name: | 1-(2,2-dimethyloxan-4-yl)-4-(2-ethoxyphenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Smiles: | CCOc1ccccc1C1c2c(nn(C3CCOC(C)(C)C3)c2NC(CS1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0796 |
| logD: | 2.4373 |
| logSw: | -3.2078 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.048 |
| InChI Key: | GLHRZKVTMZEJED-UHFFFAOYSA-N |