4-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1)
4-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0171 |
| Compound Name: | 4-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 467.51 |
| Molecular Formula: | C17 H27 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)N(CCS(N1CCNCC1)(=O)=O)C(c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2577 |
| logD: | 0.913 |
| logSw: | -2.158 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.009 |
| InChI Key: | TXZWVSXXKUGHQV-UHFFFAOYSA-N |