2-bromo-N-(2,2,2-trichloro-1-{[(naphthalen-1-yl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
2-bromo-N-(2,2,2-trichloro-1-{[(naphthalen-1-yl)carbamothioyl]amino}ethyl)benzamide
2-bromo-N-(2,2,2-trichloro-1-{[(naphthalen-1-yl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0966-0089 |
| Compound Name: | 2-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: | c1ccc(c(c1)C(NC(C([Cl])([Cl])[Cl])NC(Nc1cccc2ccccc12)=S)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5879 |
| logD: | 3.9284 |
| logSw: | -6.3961 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 42.39 |
| InChI Key: | BPXJHPAYQPJCHJ-SFHVURJKSA-N |