benzyl (2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
Chemical Structure Depiction of
benzyl (2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
benzyl (2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
Compound characteristics
| Compound ID: | 0437-0092 |
| Compound Name: | benzyl (2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)carbamate |
| 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(=O)OCc1ccccc1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4433 |
| logD: | 5.2362 |
| logSw: | -5.8603 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.743 |
| InChI Key: | PIAKILNRCYLDQL-HNNXBMFYSA-N |