propan-2-yl 2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propan-2-yl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propan-2-yl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
propan-2-yl 2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propan-2-yl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V008-6524 |
| Compound Name: | propan-2-yl 2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propan-2-yl)amino]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C21 H29 N3 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)N(CC(COCC#C)O)CC1NC(c2c(C)c(C(=O)OC(C)C)sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0773 |
| logD: | 2.0762 |
| logSw: | -2.5059 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.098 |
| InChI Key: | YDJTVNYDLNCMCK-HNNXBMFYSA-N |