diethyl ({3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)propanedioate
Chemical Structure Depiction of
diethyl ({3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)propanedioate
diethyl ({3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)propanedioate
Compound characteristics
| Compound ID: | K821-0527 |
| Compound Name: | diethyl ({3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)propanedioate |
| Molecular Weight: | 475.49 |
| Molecular Formula: | C22 H22 F N3 O6 S |
| Smiles: | CCOC(C(C(=O)OCC)NC(c1c(C)c2C(N(Cc3cccc(c3)F)C=Nc2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1009 |
| logD: | 2.0999 |
| logSw: | -2.8658 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.786 |
| InChI Key: | AYUAVTDYWMNJNG-UHFFFAOYSA-N |