3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-N-[(3-fluorophenyl)methyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-N-[(3-fluorophenyl)methyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-N-[(3-fluorophenyl)methyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-1188 |
| Compound Name: | 3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-N-[(3-fluorophenyl)methyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 610.63 |
| Molecular Formula: | C26 H29 F N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(C)c(c1)S(Nc1cc(ccc1N1CCNCC1)C(NCc1cccc(c1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8515 |
| logD: | 3.8515 |
| logSw: | -3.9196 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.716 |
| InChI Key: | HPPMEPPEVZDNHK-UHFFFAOYSA-N |