2-methoxy-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
2-methoxy-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
2-methoxy-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0602-0057 |
| Compound Name: | 2-methoxy-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 507.78 |
| Molecular Formula: | C18 H17 Cl3 N4 O5 S |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)NC(NC(C([Cl])([Cl])[Cl])NC(c1ccccc1OC)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6791 |
| logD: | 2.6817 |
| logSw: | -4.9334 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.917 |
| InChI Key: | XGYBVJCITQZDHA-INIZCTEOSA-N |