N-(3-methylbutyl)-2-(4-methylphenyl)-N-[2-(piperazine-1-sulfonyl)ethyl]acetamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(3-methylbutyl)-2-(4-methylphenyl)-N-[2-(piperazine-1-sulfonyl)ethyl]acetamide--trifluoroacetic acid (1/1)
N-(3-methylbutyl)-2-(4-methylphenyl)-N-[2-(piperazine-1-sulfonyl)ethyl]acetamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0304 |
| Compound Name: | N-(3-methylbutyl)-2-(4-methylphenyl)-N-[2-(piperazine-1-sulfonyl)ethyl]acetamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 509.59 |
| Molecular Formula: | C20 H33 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CCN(CCS(N1CCNCC1)(=O)=O)C(Cc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0812 |
| logD: | 1.7365 |
| logSw: | -2.6686 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.716 |
| InChI Key: | LYKJBCONKNUEFZ-UHFFFAOYSA-N |