3-{[(2,2,2-trichloro-1-propanamidoethyl)carbamothioyl]amino}benzoic acid
Chemical Structure Depiction of
3-{[(2,2,2-trichloro-1-propanamidoethyl)carbamothioyl]amino}benzoic acid
3-{[(2,2,2-trichloro-1-propanamidoethyl)carbamothioyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 1501-0107 |
| Compound Name: | 3-{[(2,2,2-trichloro-1-propanamidoethyl)carbamothioyl]amino}benzoic acid |
| Molecular Weight: | 398.69 |
| Molecular Formula: | C13 H14 Cl3 N3 O3 S |
| Smiles: | CCC(NC(C([Cl])([Cl])[Cl])NC(Nc1cccc(c1)C(O)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2567 |
| logD: | 0.3709 |
| logSw: | -3.406 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 71.826 |
| InChI Key: | NIZVQHHNPBJKLL-NSHDSACASA-N |