methyl 2-{2-[(5-bromofuran-2-carbonyl)oxy]acetamido}-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(5-bromofuran-2-carbonyl)oxy]acetamido}-1,3-benzothiazole-6-carboxylate
methyl 2-{2-[(5-bromofuran-2-carbonyl)oxy]acetamido}-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | 8008-5982 |
| Compound Name: | methyl 2-{2-[(5-bromofuran-2-carbonyl)oxy]acetamido}-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 439.24 |
| Molecular Formula: | C16 H11 Br N2 O6 S |
| Smiles: | COC(c1ccc2c(c1)sc(NC(COC(c1ccc(o1)[Br])=O)=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.742 |
| logD: | 3.742 |
| logSw: | -4.1168 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.106 |
| InChI Key: | FDHNQBFMNZANTF-UHFFFAOYSA-N |