5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(diethylamino)pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(diethylamino)pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(diethylamino)pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0742 |
| Compound Name: | 5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(diethylamino)pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 511.9 |
| Molecular Formula: | C17 H20 Cl N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN(CC)c1c(cc(cn1)NS(c1cccc(c1C)[Cl])(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9372 |
| logD: | 2.3297 |
| logSw: | -4.0056 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.103 |
| InChI Key: | MNOCDTOZTROSHT-UHFFFAOYSA-N |