1-(2,2-dimethyloxan-4-yl)-3-methyl-4-phenyl-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-methyl-4-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2,2-dimethyloxan-4-yl)-3-methyl-4-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 8017-8668 |
| Compound Name: | 1-(2,2-dimethyloxan-4-yl)-3-methyl-4-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 371.5 |
| Molecular Formula: | C20 H25 N3 O2 S |
| Smiles: | Cc1c2C(c3ccccc3)SCC(Nc2n(C2CCOC(C)(C)C2)n1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3374 |
| logD: | 3.3373 |
| logSw: | -3.5129 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.454 |
| InChI Key: | WDUCYEKVEYVINO-UHFFFAOYSA-N |