ethyl 2-[(cyclohexyl{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
ethyl 2-[(cyclohexyl{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
ethyl 2-[(cyclohexyl{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: | V022-3144 |
| Compound Name: | ethyl 2-[(cyclohexyl{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: | 461.58 |
| Molecular Formula: | C23 H31 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(c1c(C)c2C(NC(CN(CC(COCC#C)O)C3CCCCC3)=Nc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7421 |
| logD: | 2.7414 |
| logSw: | -2.9647 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.649 |
| InChI Key: | CHJKPLYMMUQTCR-KRWDZBQOSA-N |