4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0559 |
| Compound Name: | 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 557.03 |
| Molecular Formula: | C20 H31 Cl N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCN1CCCC1CN(CCS(N1CCNCC1)(=O)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7894 |
| logD: | 0.4447 |
| logSw: | -2.7723 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.901 |
| InChI Key: | JSEXHHRHTIPKFV-LJQANCHMSA-N |