N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1)
N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0714 |
| Compound Name: | N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 600.66 |
| Molecular Formula: | C25 H34 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)c1ccc(cc1)S(Nc1cc(ccc1N1CCNCC1)C(NCC1CCCO1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8105 |
| logD: | 2.8105 |
| logSw: | -3.6257 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.37 |
| InChI Key: | HZQGOGRFNQFHJJ-OAQYLSRUSA-N |