3-[(2-methylbenzene-1-sulfonyl)amino]-N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2-methylbenzene-1-sulfonyl)amino]-N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
3-[(2-methylbenzene-1-sulfonyl)amino]-N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0716 |
| Compound Name: | 3-[(2-methylbenzene-1-sulfonyl)amino]-N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 572.6 |
| Molecular Formula: | C23 H30 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1S(Nc1cc(ccc1N1CCNCC1)C(NCC1CCCO1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6354 |
| logD: | 1.6354 |
| logSw: | -2.6934 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.37 |
| InChI Key: | VAJKVUAZDUNOQT-LJQANCHMSA-N |