4-(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-(2H-1,3-benzodioxol-5-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(2H-1,3-benzodioxol-5-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 8019-6796 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 289.31 |
| Molecular Formula: | C13 H11 N3 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)C1c2cn[nH]c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7954 |
| logD: | 1.7954 |
| logSw: | -2.5187 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.501 |
| InChI Key: | JWKPKSNBPSXVQT-GFCCVEGCSA-N |