methyl 2-{[3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carbonyl]amino}benzoate
methyl 2-{[3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | F082-0862 |
| Compound Name: | methyl 2-{[3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carbonyl]amino}benzoate |
| Molecular Weight: | 421.27 |
| Molecular Formula: | C17 H13 Br N2 O4 S |
| Smiles: | Cc1c(C(Nc2ccccc2C(=O)OC)=O)c(c2ccc(s2)[Br])no1 |
| Stereo: | ACHIRAL |
| logP: | 4.1423 |
| logD: | 4.0266 |
| logSw: | -4.5557 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.784 |
| InChI Key: | REWWSWDMCBHTFC-UHFFFAOYSA-N |