2-(azepan-1-yl)-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(azepan-1-yl)-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0324 |
| Compound Name: | 2-(azepan-1-yl)-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 543.56 |
| Molecular Formula: | C22 H27 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CCCN(CC1)c1c(cc(cn1)NS(c1ccc2CCCCc2c1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1643 |
| logD: | 3.5568 |
| logSw: | -4.7817 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.071 |
| InChI Key: | GNBWMAMAKISTLP-UHFFFAOYSA-N |