2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | Y020-0566 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C22 H28 N4 O3 S |
| Smiles: | CC1CCc2c(C1)sc(NC(CN1CCN(CC1)Cc1ccc3c(c1)OCO3)=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9479 |
| logD: | 3.1163 |
| logSw: | -3.9327 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.244 |
| InChI Key: | XAGNLBUSNVEALG-OAHLLOKOSA-N |