methyl 4-(2-{[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F465-0909 |
| Compound Name: | methyl 4-(2-{[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 447.31 |
| Molecular Formula: | C19 H15 Br N2 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1ncc(c2cccc(c2)[Br])o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8228 |
| logD: | 4.8227 |
| logSw: | -4.5406 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.595 |
| InChI Key: | KVKBIRADZWGQTM-UHFFFAOYSA-N |