4-bromo-N-(2,2,2-trichloro-1-{[(naphthalen-1-yl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
4-bromo-N-(2,2,2-trichloro-1-{[(naphthalen-1-yl)carbamothioyl]amino}ethyl)benzamide
4-bromo-N-(2,2,2-trichloro-1-{[(naphthalen-1-yl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0966-0021 |
| Compound Name: | 4-bromo-N-(2,2,2-trichloro-1-{[(naphthalen-1-yl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 531.68 |
| Molecular Formula: | C20 H15 Br Cl3 N3 O S |
| Smiles: | c1ccc2c(cccc2c1)NC(NC(C([Cl])([Cl])[Cl])NC(c1ccc(cc1)[Br])=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8042 |
| logD: | 4.1447 |
| logSw: | -6.5812 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 42.39 |
| InChI Key: | LCBWMMNADVQNSX-SFHVURJKSA-N |