diethyl 5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 8007-8798 |
| Compound Name: | diethyl 5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 464.58 |
| Molecular Formula: | C20 H20 N2 O5 S3 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7591 |
| logD: | 2.911 |
| logSw: | -4.5796 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.499 |
| InChI Key: | OWXCOIPJLAABHQ-UHFFFAOYSA-N |