methyl 3-amino-5-methyl-2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-amino-5-methyl-2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 3-amino-5-methyl-2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | C494-0103 |
Compound Name: | methyl 3-amino-5-methyl-2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
Molecular Weight: | 418.49 |
Molecular Formula: | C18 H18 N4 O4 S2 |
Smiles: | Cc1c2C(N(C(=Nc2sc1C(=O)OC)SCC(N(C)c1ccccc1)=O)N)=O |
Stereo: | ACHIRAL |
logP: | 1.498 |
logD: | 1.498 |
logSw: | -2.0655 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 78.737 |
InChI Key: | BFRMZLWJAUDOQV-UHFFFAOYSA-N |