N-[(2,5-dimethylphenyl)methyl]-2-(4-propanoylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
Chemical Structure Depiction of
N-[(2,5-dimethylphenyl)methyl]-2-(4-propanoylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
N-[(2,5-dimethylphenyl)methyl]-2-(4-propanoylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
Compound characteristics
| Compound ID: | T409-0269 |
| Compound Name: | N-[(2,5-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(NCc1cc(C)ccc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2252 |
| logD: | 4.1195 |
| logSw: | -4.0535 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.546 |
| InChI Key: | PKMOHPZVFOUJPR-GOSISDBHSA-N |