N-[(3,4-dimethylphenyl)methyl]-2-(4-propanoylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
Chemical Structure Depiction of
N-[(3,4-dimethylphenyl)methyl]-2-(4-propanoylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
N-[(3,4-dimethylphenyl)methyl]-2-(4-propanoylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
Compound characteristics
| Compound ID: | T409-0244 |
| Compound Name: | N-[(3,4-dimethylphenyl)methyl]-2-(4-propanoylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide |
| Molecular Weight: | 440.61 |
| Molecular Formula: | C24 H32 N4 O2 S |
| Smiles: | CCC(N1CCN(CC1)c1nc2CCC(Cc2s1)C(NCc1ccc(C)c(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9297 |
| logD: | 3.824 |
| logSw: | -3.7891 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.546 |
| InChI Key: | VWCXZPKYCRNPQU-LJQANCHMSA-N |