2-[butyl(ethyl)amino]-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[butyl(ethyl)amino]-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[butyl(ethyl)amino]-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0535 |
| Compound Name: | 2-[butyl(ethyl)amino]-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 545.58 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CC)c1c(cc(cn1)NS(c1ccc2CCCCc2c1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3451 |
| logD: | 3.7376 |
| logSw: | -5.013 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.277 |
| InChI Key: | YTVHKQZPNKUNOP-UHFFFAOYSA-N |