3-chloro-N-(3-methylbutyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-chloro-N-(3-methylbutyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
3-chloro-N-(3-methylbutyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0299 |
| Compound Name: | 3-chloro-N-(3-methylbutyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 515.98 |
| Molecular Formula: | C18 H28 Cl N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CCN(CCS(N1CCNCC1)(=O)=O)C(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9572 |
| logD: | 1.6126 |
| logSw: | -3.019 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.244 |
| InChI Key: | LJGBLUZFUZBNHQ-UHFFFAOYSA-N |