3-methoxy-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
3-methoxy-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
3-methoxy-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
Compound ID: | 0649-0025 |
Compound Name: | 3-methoxy-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide |
Molecular Weight: | 507.78 |
Molecular Formula: | C18 H17 Cl3 N4 O5 S |
Smiles: | COc1cccc(c1)C(NC(C([Cl])([Cl])[Cl])NC(Nc1cc(ccc1OC)[N+]([O-])=O)=S)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.055 |
logD: | 3.6997 |
logSw: | -4.6107 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 91.218 |
InChI Key: | JIGWJIYMRDMPSE-INIZCTEOSA-N |