2-{[(2,2,2-trichloro-1-hexanamidoethyl)carbamothioyl]amino}benzoic acid
Chemical Structure Depiction of
2-{[(2,2,2-trichloro-1-hexanamidoethyl)carbamothioyl]amino}benzoic acid
2-{[(2,2,2-trichloro-1-hexanamidoethyl)carbamothioyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 1491-0354 |
| Compound Name: | 2-{[(2,2,2-trichloro-1-hexanamidoethyl)carbamothioyl]amino}benzoic acid |
| Molecular Weight: | 440.77 |
| Molecular Formula: | C16 H20 Cl3 N3 O3 S |
| Smiles: | CCCCCC(NC(C([Cl])([Cl])[Cl])NC(Nc1ccccc1C(O)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7232 |
| logD: | 1.5042 |
| logSw: | -4.4186 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 71.128 |
| InChI Key: | IBQKHERNPBTPLK-AWEZNQCLSA-N |