N-{2-[(2-fluorophenyl)(methyl)amino]ethyl}-5-methyl-4-oxo-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-{2-[(2-fluorophenyl)(methyl)amino]ethyl}-5-methyl-4-oxo-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-{2-[(2-fluorophenyl)(methyl)amino]ethyl}-5-methyl-4-oxo-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K823-2663 |
| Compound Name: | N-{2-[(2-fluorophenyl)(methyl)amino]ethyl}-5-methyl-4-oxo-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 563.65 |
| Molecular Formula: | C28 H30 F N7 O3 S |
| Smiles: | Cc1c2C(N(CC(N3CCN(CC3)c3ccccn3)=O)C=Nc2sc1C(NCCN(C)c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1891 |
| logD: | 2.1802 |
| logSw: | -2.674 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.564 |
| InChI Key: | MMESINBYAHVWLW-UHFFFAOYSA-N |