N-benzyl-3-[(4-ethylbenzene-1-sulfonyl)amino]-N-methyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-benzyl-3-[(4-ethylbenzene-1-sulfonyl)amino]-N-methyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
N-benzyl-3-[(4-ethylbenzene-1-sulfonyl)amino]-N-methyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0869 |
| Compound Name: | N-benzyl-3-[(4-ethylbenzene-1-sulfonyl)amino]-N-methyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 606.66 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(cc1)S(Nc1cc(ccc1N1CCNCC1)C(N(C)Cc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9916 |
| logD: | 3.9916 |
| logSw: | -4.0406 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.453 |
| InChI Key: | PDYDFVWAYXXQMC-UHFFFAOYSA-N |