3-iodo-N-(2,2,2-trichloro-1-{[(2,4-dimethylphenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
3-iodo-N-(2,2,2-trichloro-1-{[(2,4-dimethylphenyl)carbamothioyl]amino}ethyl)benzamide
3-iodo-N-(2,2,2-trichloro-1-{[(2,4-dimethylphenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0602-0097 |
| Compound Name: | 3-iodo-N-(2,2,2-trichloro-1-{[(2,4-dimethylphenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 556.68 |
| Molecular Formula: | C18 H17 Cl3 I N3 O S |
| Smiles: | Cc1ccc(c(C)c1)NC(NC(C([Cl])([Cl])[Cl])NC(c1cccc(c1)I)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9954 |
| logD: | 4.3759 |
| logSw: | -6.2412 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 42.662 |
| InChI Key: | VBAGOPFUDWVVSI-INIZCTEOSA-N |