3-[(2-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-[(pyridin-3-yl)methyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-[(pyridin-3-yl)methyl]benzamide--trifluoroacetic acid (1/1)
3-[(2-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-[(pyridin-3-yl)methyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0807 |
| Compound Name: | 3-[(2-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-[(pyridin-3-yl)methyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 579.6 |
| Molecular Formula: | C24 H27 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1S(Nc1cc(ccc1N1CCNCC1)C(NCc1cccnc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8571 |
| logD: | 1.8571 |
| logSw: | -2.3492 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.234 |
| InChI Key: | NNEKTPXEICHQAY-UHFFFAOYSA-N |