2-({[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)-4,5-dimethoxybenzoic acid
Chemical Structure Depiction of
2-({[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)-4,5-dimethoxybenzoic acid
2-({[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)-4,5-dimethoxybenzoic acid
Compound characteristics
| Compound ID: | 1989-9532 |
| Compound Name: | 2-({[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)-4,5-dimethoxybenzoic acid |
| Molecular Weight: | 447.24 |
| Molecular Formula: | C19 H15 Br N2 O6 |
| Smiles: | COc1cc(C(O)=O)c(cc1OC)N\C=C1/C(=O)OC(c2ccccc2[Br])=N1 |
| Stereo: | ACHIRAL |
| logP: | 2.8786 |
| logD: | 0.6953 |
| logSw: | -3.4207 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.948 |
| InChI Key: | KDBYRODDYTYRLF-UHFFFAOYSA-N |