ethyl 2-[4-(2,5-dioxopyrrolidin-1-yl)benzamido]-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[4-(2,5-dioxopyrrolidin-1-yl)benzamido]-1,3-benzothiazole-6-carboxylate
ethyl 2-[4-(2,5-dioxopyrrolidin-1-yl)benzamido]-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | 8007-3820 |
| Compound Name: | ethyl 2-[4-(2,5-dioxopyrrolidin-1-yl)benzamido]-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C21 H17 N3 O5 S |
| Smiles: | CCOC(c1ccc2c(c1)sc(NC(c1ccc(cc1)N1C(CCC1=O)=O)=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5064 |
| logD: | 2.5028 |
| logSw: | -3.0192 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.313 |
| InChI Key: | HOQOUTFOMMSUJH-UHFFFAOYSA-N |