2-(diethylamino)-5-[(4-ethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(diethylamino)-5-[(4-ethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(diethylamino)-5-[(4-ethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0730 |
| Compound Name: | 2-(diethylamino)-5-[(4-ethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 491.48 |
| Molecular Formula: | C18 H23 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(cc1)S(Nc1cc(C(O)=O)c(nc1)N(CC)CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0143 |
| logD: | 2.4068 |
| logSw: | -3.911 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.103 |
| InChI Key: | XXPWZADLFDSEIC-UHFFFAOYSA-N |