propan-2-yl 2-[(ethyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-[(ethyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
propan-2-yl 2-[(ethyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V015-4511 |
| Compound Name: | propan-2-yl 2-[(ethyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]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: | CCN(CC(COCC#C)O)CC1NC(c2c(C)c(C(=O)OC(C)C)sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7542 |
| logD: | 1.7535 |
| logSw: | -2.3753 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.187 |
| InChI Key: | VPAQDZPFCWWAOK-AWEZNQCLSA-N |