2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(prop-2-en-1-yl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(prop-2-en-1-yl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(prop-2-en-1-yl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V016-4681 |
| Compound Name: | 2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(prop-2-en-1-yl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C21 H27 N3 O3 S |
| Salt: | not_available |
| Smiles: | CC1CCc2c3C(NC(CN(CC=C)CC(COCC#C)O)=Nc3sc2C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5898 |
| logD: | 2.5893 |
| logSw: | -2.8679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.929 |
| InChI Key: | NARNENODNKCFQR-UHFFFAOYSA-N |