methyl 3-{2-[(6-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamido}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{2-[(6-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamido}thiophene-2-carboxylate
methyl 3-{2-[(6-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamido}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | E140-0757 |
| Compound Name: | methyl 3-{2-[(6-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamido}thiophene-2-carboxylate |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C22 H22 N4 O4 S2 |
| Smiles: | COC(c1c(ccs1)NC(CSC1NC(C2CN(CCC=2N=1)Cc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9516 |
| logD: | 1.4022 |
| logSw: | -2.4316 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.59 |
| InChI Key: | IPAXTBJIFZBOPC-UHFFFAOYSA-N |