4-[(butanoylcarbamothioyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(butanoylcarbamothioyl)amino]benzoic acid
4-[(butanoylcarbamothioyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 8019-9857 |
| Compound Name: | 4-[(butanoylcarbamothioyl)amino]benzoic acid |
| Molecular Weight: | 266.32 |
| Molecular Formula: | C12 H14 N2 O3 S |
| Smiles: | CCCC(NC(Nc1ccc(cc1)C(O)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2855 |
| logD: | -0.1097 |
| logSw: | -2.8309 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.706 |
| InChI Key: | DFXNYQDZAZWPPB-UHFFFAOYSA-N |