2-[butyl(methyl)amino]-5-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[butyl(methyl)amino]-5-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[butyl(methyl)amino]-5-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0073 |
| Compound Name: | 2-[butyl(methyl)amino]-5-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 428.43 |
| Molecular Formula: | C14 H22 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1ccc(cc1C(O)=O)NS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7314 |
| logD: | 0.6157 |
| logSw: | -3.4219 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.098 |
| InChI Key: | PACOZALXBHIOAP-UHFFFAOYSA-N |