5,5-dimethyl-2-(oxaloamino)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid
Chemical Structure Depiction of
5,5-dimethyl-2-(oxaloamino)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid
5,5-dimethyl-2-(oxaloamino)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid
Compound characteristics
| Compound ID: | 8640-0046 |
| Compound Name: | 5,5-dimethyl-2-(oxaloamino)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid |
| Molecular Weight: | 299.3 |
| Molecular Formula: | C12 H13 N O6 S |
| Smiles: | [H]N(C(C(=O)O[H])=O)c1c(C(=O)O[H])c2CC(C)(C)OCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 1.0525 |
| logD: | -4.3752 |
| logSw: | -1.8228 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.829 |
| InChI Key: | KNMHYBMIBQQFJZ-UHFFFAOYSA-N |