3-[(3-methoxybenzene-1-sulfonyl)amino]-N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3-methoxybenzene-1-sulfonyl)amino]-N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
3-[(3-methoxybenzene-1-sulfonyl)amino]-N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0726 |
| Compound Name: | 3-[(3-methoxybenzene-1-sulfonyl)amino]-N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 588.6 |
| Molecular Formula: | C23 H30 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1cccc(c1)S(Nc1cc(ccc1N1CCNCC1)C(NCC1CCCO1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3558 |
| logD: | 1.3558 |
| logSw: | -2.5728 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.914 |
| InChI Key: | DEOZXVZHBDAXLH-LJQANCHMSA-N |