N-(butan-2-yl)-5-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(butan-2-yl)-5-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
N-(butan-2-yl)-5-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L268-0739 |
| Compound Name: | N-(butan-2-yl)-5-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 583 |
| Molecular Formula: | C21 H26 Cl F N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCC(C)NC(c1cc(ccc1N1CCNCC1)NS(c1ccc(c(c1)[Cl])F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9537 |
| logD: | 1.4782 |
| logSw: | -3.592 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.127 |
| InChI Key: | RWWAZXHWSALVQD-AWEZNQCLSA-N |