methyl 4-({[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)benzoate
methyl 4-({[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)benzoate
Compound characteristics
| Compound ID: | 8002-4039 |
| Compound Name: | methyl 4-({[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)benzoate |
| Molecular Weight: | 435.28 |
| Molecular Formula: | C22 H15 Br N2 O3 |
| Smiles: | COC(c1ccc(/C=N/c2ccc3c(c2)nc(c2cccc(c2)[Br])o3)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5589 |
| logD: | 5.5588 |
| logSw: | -5.6514 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.35 |
| InChI Key: | RXNMJZFQBSLDQP-UHFFFAOYSA-N |