ethyl 2-[2-({2-[2-(4-bromophenyl)-2-oxoethoxy]-2-oxoethyl}sulfanyl)acetamido]-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({2-[2-(4-bromophenyl)-2-oxoethoxy]-2-oxoethyl}sulfanyl)acetamido]-1,3-benzothiazole-6-carboxylate
ethyl 2-[2-({2-[2-(4-bromophenyl)-2-oxoethoxy]-2-oxoethyl}sulfanyl)acetamido]-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | 8006-7112 |
| Compound Name: | ethyl 2-[2-({2-[2-(4-bromophenyl)-2-oxoethoxy]-2-oxoethyl}sulfanyl)acetamido]-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 551.43 |
| Molecular Formula: | C22 H19 Br N2 O6 S2 |
| Smiles: | CCOC(c1ccc2c(c1)sc(NC(CSCC(=O)OCC(c1ccc(cc1)[Br])=O)=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2659 |
| logD: | 5.2659 |
| logSw: | -5.2028 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.412 |
| InChI Key: | FMMKISQWYGWUMH-UHFFFAOYSA-N |