2-[bis(2-methylpropyl)amino]-5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[bis(2-methylpropyl)amino]-5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[bis(2-methylpropyl)amino]-5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0591 |
| Compound Name: | 2-[bis(2-methylpropyl)amino]-5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 568.01 |
| Molecular Formula: | C21 H28 Cl N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CN(CC(C)C)c1c(cc(cn1)NS(c1cccc(c1C)[Cl])(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7284 |
| logD: | 4.1208 |
| logSw: | -5.4766 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.653 |
| InChI Key: | ZFXBHMPBRRSYML-UHFFFAOYSA-N |