N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-dimethyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-dimethyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-dimethyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0558 |
| Compound Name: | N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-dimethyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 586.69 |
| Molecular Formula: | C21 H36 N4 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | CCN1CCCC1CN(CCS(N1CCNCC1)(=O)=O)S(c1ccc(C)cc1C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2779 |
| logD: | 0.9332 |
| logSw: | -2.2383 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.065 |
| InChI Key: | XNWBFBHSZVQGPN-HXUWFJFHSA-N |