2-({2-[(4-bromophenyl)ethynyl]phenyl}carbamoyl)benzoic acid
Chemical Structure Depiction of
2-({2-[(4-bromophenyl)ethynyl]phenyl}carbamoyl)benzoic acid
2-({2-[(4-bromophenyl)ethynyl]phenyl}carbamoyl)benzoic acid
Compound characteristics
| Compound ID: | 8006-1627 |
| Compound Name: | 2-({2-[(4-bromophenyl)ethynyl]phenyl}carbamoyl)benzoic acid |
| Molecular Weight: | 420.26 |
| Molecular Formula: | C22 H14 Br N O3 |
| Smiles: | C(#Cc1ccccc1NC(c1ccccc1C(O)=O)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.5197 |
| logD: | 1.0769 |
| logSw: | -5.5613 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.768 |
| InChI Key: | DZARJUHKOUBDHI-UHFFFAOYSA-N |