2-(azocan-1-yl)-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azocan-1-yl)-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(azocan-1-yl)-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0674 |
| Compound Name: | 2-(azocan-1-yl)-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 556.6 |
| Molecular Formula: | C24 H30 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CCCN(CCC1)c1ccc(cc1C(O)=O)NS(c1ccc2CCCCc2c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0026 |
| logD: | 3.887 |
| logSw: | -5.602 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.699 |
| InChI Key: | WHRIPMGHEZZBDT-UHFFFAOYSA-N |