ethyl 2-[3-(4-nitrophenyl)prop-2-enamido]-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[3-(4-nitrophenyl)prop-2-enamido]-1,3-benzothiazole-6-carboxylate
ethyl 2-[3-(4-nitrophenyl)prop-2-enamido]-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | 0812-0987 |
| Compound Name: | ethyl 2-[3-(4-nitrophenyl)prop-2-enamido]-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 397.41 |
| Molecular Formula: | C19 H15 N3 O5 S |
| Smiles: | CCOC(c1ccc2c(c1)sc(NC(/C=C/c1ccc(cc1)[N+]([O-])=O)=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.168 |
| logD: | 5.1679 |
| logSw: | -5.0603 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.013 |
| InChI Key: | ZVEXCKTYSVDWCO-UHFFFAOYSA-N |