1-(2,2-dimethyloxan-4-yl)-4-(4-ethoxyphenyl)-3-methyl-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-ethoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2,2-dimethyloxan-4-yl)-4-(4-ethoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D068-0186 |
| Compound Name: | 1-(2,2-dimethyloxan-4-yl)-4-(4-ethoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 415.55 |
| Molecular Formula: | C22 H29 N3 O3 S |
| Smiles: | CCOc1ccc(cc1)C1c2c(C)nn(C3CCOC(C)(C)C3)c2NC(CS1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.702 |
| logD: | 3.702 |
| logSw: | -3.8364 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.578 |
| InChI Key: | HOCMUOBLOHZWPG-UHFFFAOYSA-N |