2-[bis(2-methylpropyl)amino]-5-[(4-ethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[bis(2-methylpropyl)amino]-5-[(4-ethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[bis(2-methylpropyl)amino]-5-[(4-ethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0579 |
| Compound Name: | 2-[bis(2-methylpropyl)amino]-5-[(4-ethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 547.59 |
| Molecular Formula: | C22 H31 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(cc1)S(Nc1cc(C(O)=O)c(nc1)N(CC(C)C)CC(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8055 |
| logD: | 4.1979 |
| logSw: | -5.1461 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.653 |
| InChI Key: | AMRYCAPEWLOVGE-UHFFFAOYSA-N |