ethyl 2-(4-methylphenyl)-3-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-methylphenyl)-3-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate
ethyl 2-(4-methylphenyl)-3-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate
Compound characteristics
| Compound ID: | L392-1337 |
| Compound Name: | ethyl 2-(4-methylphenyl)-3-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C26 H28 N4 O4 S |
| Smiles: | CCOC(N1CCC2=C(C1)N=C(c1ccc(C)cc1)N(CC(Nc1cccc(c1)SC)=O)C2=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9125 |
| logD: | 3.9116 |
| logSw: | -3.8655 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.184 |
| InChI Key: | JIWDYEHTNFVPHD-UHFFFAOYSA-N |