2-[([(furan-2-yl)methyl]{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[([(furan-2-yl)methyl]{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-[([(furan-2-yl)methyl]{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V020-6468 |
| Compound Name: | 2-[([(furan-2-yl)methyl]{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C23 H27 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC1CCc2c3C(NC(CN(CC(COCC#C)O)Cc4ccco4)=Nc3sc2C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9375 |
| logD: | 2.9362 |
| logSw: | -3.4584 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.428 |
| InChI Key: | HLJWFNWIJOJTFE-UHFFFAOYSA-N |