2-[benzyl(butyl)amino]-5-[(3,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[benzyl(butyl)amino]-5-[(3,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid
2-[benzyl(butyl)amino]-5-[(3,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F294-0657 |
| Compound Name: | 2-[benzyl(butyl)amino]-5-[(3,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 580.62 |
| Molecular Formula: | C26 H30 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(Cc1ccccc1)c1ccc(cc1C(O)=O)NS(c1cc(C)cc(C)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3043 |
| logD: | 4.4722 |
| logSw: | -5.3095 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.989 |
| InChI Key: | RAKSOBNRKAKWOI-UHFFFAOYSA-N |