methyl 4-[2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | E140-1242 |
| Compound Name: | methyl 4-[2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C25 H26 N4 O5 S |
| Smiles: | COC(c1ccc(cc1)NC(CSC1NC(C2CN(CCC=2N=1)Cc1cccc(c1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6793 |
| logD: | 2.1299 |
| logSw: | -3.0986 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.813 |
| InChI Key: | QLXIQDAYSYVEMZ-UHFFFAOYSA-N |