4-{[3-(methoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-{[3-(methoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid
4-{[3-(methoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 7571-0843 |
| Compound Name: | 4-{[3-(methoxycarbonyl)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]amino}-4-oxobut-2-enoic acid |
| Molecular Weight: | 339.36 |
| Molecular Formula: | C15 H17 N O6 S |
| Smiles: | CC1(C)Cc2c(C(=O)OC)c(NC(\C=C/C(O)=O)=O)sc2CO1 |
| Stereo: | ACHIRAL |
| logP: | 2.2212 |
| logD: | -2.2371 |
| logSw: | -2.5589 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.357 |
| InChI Key: | IPXVLDDTERYBTI-UHFFFAOYSA-N |