methyl 3-amino-2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-amino-2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 3-amino-2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C494-0057 |
| Compound Name: | methyl 3-amino-2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C20 H22 N4 O4 S2 |
| Smiles: | CCN(C(CSC1=Nc2c(C(N1N)=O)c(C)c(C(=O)OC)s2)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.9858 |
| logD: | 2.9858 |
| logSw: | -3.1165 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.716 |
| InChI Key: | IJXQCIZNYAOCAR-UHFFFAOYSA-N |