3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-[(pyridin-3-yl)methyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-[(pyridin-3-yl)methyl]benzamide--trifluoroacetic acid (1/1)
3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-[(pyridin-3-yl)methyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0804 |
| Compound Name: | 3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-[(pyridin-3-yl)methyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 593.62 |
| Molecular Formula: | C25 H29 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1C)S(Nc1cc(ccc1N1CCNCC1)C(NCc1cccnc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6228 |
| logD: | 2.6228 |
| logSw: | -2.7988 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.234 |
| InChI Key: | LLLUXNXICVKWDE-UHFFFAOYSA-N |