methyl 3-[2-({6-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamido]thiophene-2-carboxylate
methyl 3-[2-({6-[(4-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamido]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | E140-1101 |
| Compound Name: | methyl 3-[2-({6-[(4-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamido]thiophene-2-carboxylate |
| Molecular Weight: | 500.59 |
| Molecular Formula: | C23 H24 N4 O5 S2 |
| Smiles: | COC(c1c(ccs1)NC(CSC1NC(C2CN(CCC=2N=1)Cc1ccc(cc1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.934 |
| logD: | 1.3846 |
| logSw: | -2.5434 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.133 |
| InChI Key: | XPIRZNSZAVKYSL-UHFFFAOYSA-N |