ethyl 2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(3-methoxypropyl)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}(3-methoxypropyl)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}(3-methoxypropyl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V022-3134 |
| Compound Name: | ethyl 2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(3-methoxypropyl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C21 H29 N3 O6 S |
| Salt: | not_available |
| Smiles: | CCOC(c1c(C)c2C(NC(CN(CCCOC)CC(COCC#C)O)=Nc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2878 |
| logD: | 1.2873 |
| logSw: | -2.2479 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.104 |
| InChI Key: | HCKYVMKIOQEYCP-HNNXBMFYSA-N |