4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 8020-0271 |
| Compound Name: | 4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 349.36 |
| Molecular Formula: | C15 H15 N3 O5 S |
| Smiles: | COc1cc(C2c3cn[nH]c3NC(CS2)=O)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3146 |
| logD: | 1.3146 |
| logSw: | -2.3905 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.217 |
| InChI Key: | LOEFBSZILBCOPX-CQSZACIVSA-N |