2-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]acetamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]acetamide--trifluoroacetic acid (1/1)
2-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]acetamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0364 |
| Compound Name: | 2-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]acetamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 523.57 |
| Molecular Formula: | C20 H31 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(CC(N(CCS(N2CCNCC2)(=O)=O)CC2CCCO2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6424 |
| logD: | 0.2978 |
| logSw: | -2.1407 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.121 |
| InChI Key: | VKXNTIFGCYENEC-LJQANCHMSA-N |