N-butyl-3-(4-methoxyphenyl)-N-[2-(piperazine-1-sulfonyl)ethyl]propanamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-3-(4-methoxyphenyl)-N-[2-(piperazine-1-sulfonyl)ethyl]propanamide--trifluoroacetic acid (1/1)
N-butyl-3-(4-methoxyphenyl)-N-[2-(piperazine-1-sulfonyl)ethyl]propanamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0763 |
| Compound Name: | N-butyl-3-(4-methoxyphenyl)-N-[2-(piperazine-1-sulfonyl)ethyl]propanamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 525.59 |
| Molecular Formula: | C20 H33 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CCS(N1CCNCC1)(=O)=O)C(CCc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6449 |
| logD: | 1.3002 |
| logSw: | -2.3584 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.26 |
| InChI Key: | GVFGLVWMHIOQNV-UHFFFAOYSA-N |