3-[(4-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-[(pyridin-4-yl)methyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(4-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-[(pyridin-4-yl)methyl]benzamide--trifluoroacetic acid (1/1)
3-[(4-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-[(pyridin-4-yl)methyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0821 |
| Compound Name: | 3-[(4-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-[(pyridin-4-yl)methyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 579.6 |
| Molecular Formula: | C24 H27 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)S(Nc1cc(ccc1N1CCNCC1)C(NCc1ccncc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9886 |
| logD: | 1.9886 |
| logSw: | -2.7423 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.144 |
| InChI Key: | YTMDQFCSRLVEOG-UHFFFAOYSA-N |