2-(4-acetylpiperazin-1-yl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
Chemical Structure Depiction of
2-(4-acetylpiperazin-1-yl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
2-(4-acetylpiperazin-1-yl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
Compound characteristics
| Compound ID: | T409-0141 |
| Compound Name: | 2-(4-acetylpiperazin-1-yl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide |
| Molecular Weight: | 444.6 |
| Molecular Formula: | C22 H32 N6 O2 S |
| Smiles: | CCCn1cc(CNC(C2CCc3c(C2)sc(n3)N2CCN(CC2)C(C)=O)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9886 |
| logD: | 1.8829 |
| logSw: | -2.2971 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.65 |
| InChI Key: | BCWLFXSFCUVECQ-QGZVFWFLSA-N |