benzyl (2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
Chemical Structure Depiction of
benzyl (2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
benzyl (2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
Compound characteristics
Compound ID: | 0437-0093 |
Compound Name: | benzyl (2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)carbamate |
Molecular Weight: | 507.78 |
Molecular Formula: | C18 H17 Cl3 N4 O5 S |
Smiles: | COc1ccc(cc1NC(NC(C([Cl])([Cl])[Cl])NC(=O)OCc1ccccc1)=S)[N+]([O-])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.8904 |
logD: | 4.6833 |
logSw: | -5.0689 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 92.131 |
InChI Key: | GXGAZZDVCYPSHO-HNNXBMFYSA-N |