ethyl 2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propyl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propyl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propyl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V022-3208 |
| Compound Name: | ethyl 2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propyl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 421.51 |
| Molecular Formula: | C20 H27 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCCN(CC(COCC#C)O)CC1NC(c2c(C)c(C(=O)OCC)sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8399 |
| logD: | 1.8391 |
| logSw: | -2.5328 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.762 |
| InChI Key: | NYZINMJEASGBOE-AWEZNQCLSA-N |