methyl 2-({3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
methyl 2-({3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | K895-0063 |
| Compound Name: | methyl 2-({3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | CC1CC(C)CN(C1)C(CN1C=Nc2c(C1=O)c(C)c(C(Nc1ccccc1C(=O)OC)=O)s2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9904 |
| logD: | 1.7597 |
| logSw: | -3.5092 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.068 |
| InChI Key: | OHEUVMDZSYGDJP-UHFFFAOYSA-N |