4-(2H-1,3-benzodioxol-5-yl)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-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)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(2H-1,3-benzodioxol-5-yl)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 8019-6638 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 450.54 |
| Molecular Formula: | C22 H18 N4 O3 S2 |
| Smiles: | Cc1ccc2c(c1)sc(n2)n1c2c(C(c3ccc4c(c3)OCO4)SCC(N2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.914 |
| logD: | 4.9031 |
| logSw: | -4.674 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.073 |
| InChI Key: | HGCAZSXPCNZOEZ-HXUWFJFHSA-N |