ethyl 2-(2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
ethyl 2-(2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4715-0008 |
| Compound Name: | ethyl 2-(2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate |
| Molecular Weight: | 539.63 |
| Molecular Formula: | C25 H25 N5 O5 S2 |
| Smiles: | CCOC(c1c2CCN(C)Cc2sc1NC(CSC1NC(C(C#N)=C(c2cccc(c2)OC)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6034 |
| logD: | -0.9496 |
| logSw: | -3.0255 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.01 |
| InChI Key: | XUKVZKRDCRKTOS-UHFFFAOYSA-N |