2-[(benzyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[(benzyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-[(benzyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V016-3723 |
| Compound Name: | 2-[(benzyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Salt: | not_available |
| Smiles: | C#CCOCC(CN(CC1NC(c2c3CCCCc3sc2N=1)=O)Cc1ccccc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0961 |
| logD: | 3.0921 |
| logSw: | -3.4245 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.679 |
| InChI Key: | FGPPLKFLPZDEKZ-SFHVURJKSA-N |