N-butyl-2-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-2-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
N-butyl-2-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0743 |
| Compound Name: | N-butyl-2-methyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C18 H29 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CCS(N1CCNCC1)(=O)=O)C(c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.465 |
| logD: | 1.1204 |
| logSw: | -2.4551 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.244 |
| InChI Key: | FSGOCOOSAINMRB-UHFFFAOYSA-N |