methyl 2-{[(2,2,2-trichloro-1-nonanamidoethyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[(2,2,2-trichloro-1-nonanamidoethyl)carbamothioyl]amino}benzoate
methyl 2-{[(2,2,2-trichloro-1-nonanamidoethyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | 0502-0101 |
| Compound Name: | methyl 2-{[(2,2,2-trichloro-1-nonanamidoethyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 496.88 |
| Molecular Formula: | C20 H28 Cl3 N3 O3 S |
| Smiles: | CCCCCCCCC(NC(C([Cl])([Cl])[Cl])NC(Nc1ccccc1C(=O)OC)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9488 |
| logD: | 5.8521 |
| logSw: | -5.7964 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.894 |
| InChI Key: | JIYVWCCRUFNHEQ-SFHVURJKSA-N |