4-(3,4-dimethoxyphenyl)-1-(2,2-dimethyloxan-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(3,4-dimethoxyphenyl)-1-(2,2-dimethyloxan-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(3,4-dimethoxyphenyl)-1-(2,2-dimethyloxan-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D068-0191 |
| Compound Name: | 4-(3,4-dimethoxyphenyl)-1-(2,2-dimethyloxan-4-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 431.55 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Smiles: | Cc1c2C(c3ccc(c(c3)OC)OC)SCC(Nc2n(C2CCOC(C)(C)C2)n1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9835 |
| logD: | 2.9835 |
| logSw: | -3.3242 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.715 |
| InChI Key: | JFUSFBAGOHIRKT-UHFFFAOYSA-N |