3-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]-N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]-N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
3-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]-N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0722 |
| Compound Name: | 3-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]-N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 611.01 |
| Molecular Formula: | C22 H26 Cl F N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CC(CNC(c2ccc(c(c2)NS(c2ccc(c(c2)[Cl])F)(=O)=O)N2CCNCC2)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8721 |
| logD: | 1.8721 |
| logSw: | -3.0237 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.37 |
| InChI Key: | WKFSLVSPIFKACH-MRXNPFEDSA-N |