N-benzyl-5-[(4-ethylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-benzyl-5-[(4-ethylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
N-benzyl-5-[(4-ethylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L268-0514 |
| Compound Name: | N-benzyl-5-[(4-ethylbenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 592.64 |
| Molecular Formula: | C26 H30 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(cc1)S(Nc1ccc(c(c1)C(NCc1ccccc1)=O)N1CCNCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1944 |
| logD: | 2.7188 |
| logSw: | -4.0568 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.413 |
| InChI Key: | PPCFQXSBSBDDTF-UHFFFAOYSA-N |