4-bromo-N-{[2-(phenylethynyl)phenyl]carbamothioyl}benzamide
Chemical Structure Depiction of
4-bromo-N-{[2-(phenylethynyl)phenyl]carbamothioyl}benzamide
4-bromo-N-{[2-(phenylethynyl)phenyl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | 8009-4787 |
| Compound Name: | 4-bromo-N-{[2-(phenylethynyl)phenyl]carbamothioyl}benzamide |
| Molecular Weight: | 435.34 |
| Molecular Formula: | C22 H15 Br N2 O S |
| Smiles: | C(#Cc1ccccc1NC(NC(c1ccc(cc1)[Br])=O)=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.5858 |
| logD: | 6.5667 |
| logSw: | -6.1918 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 32.27 |
| InChI Key: | HCPGUEUKPRDILL-UHFFFAOYSA-N |