N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)-3-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)-3-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)-3-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0711 |
| Compound Name: | N-[(oxolan-2-yl)methyl]-4-(piperazin-1-yl)-3-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 612.67 |
| Molecular Formula: | C26 H34 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CCc2cc(ccc2C1)S(Nc1cc(ccc1N1CCNCC1)C(NCC1CCCO1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7173 |
| logD: | 2.7173 |
| logSw: | -3.5016 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.291 |
| InChI Key: | RBSIFBLQMAWWKL-JOCHJYFZSA-N |