methyl 2-(2-imino-4-oxo-1,3-thiazolidin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-imino-4-oxo-1,3-thiazolidin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(2-imino-4-oxo-1,3-thiazolidin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8012-8809 |
| Compound Name: | methyl 2-(2-imino-4-oxo-1,3-thiazolidin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 310.39 |
| Molecular Formula: | C13 H14 N2 O3 S2 |
| Smiles: | COC(c1c2CCCCc2sc1N1C(=N)SCC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.121 |
| logD: | 2.1168 |
| logSw: | -2.1826 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.082 |
| InChI Key: | OWSRQWZWMNGHMW-UHFFFAOYSA-N |