1-cycloheptyl-4-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Chemical Structure Depiction of
1-cycloheptyl-4-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
1-cycloheptyl-4-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Compound characteristics
| Compound ID: | 8020-7067 |
| Compound Name: | 1-cycloheptyl-4-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one |
| Molecular Weight: | 459.56 |
| Molecular Formula: | C23 H29 N3 O5 S |
| Smiles: | CC1=NC2=C(C(c3cc(c4c(c3OC)OCCO4)OC)S1)C(NN2C1CCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6438 |
| logD: | 3.6434 |
| logSw: | -3.8017 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67 |
| InChI Key: | YMUPFMZHQAGFFV-OAQYLSRUSA-N |