2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(2-methoxyethyl)amino]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}(2-methoxyethyl)amino]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}(2-methoxyethyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V022-3107 |
| Compound Name: | 2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(2-methoxyethyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 405.51 |
| Molecular Formula: | C20 H27 N3 O4 S |
| Smiles: | COCCN(CC(COCC#C)O)CC1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5054 |
| logD: | 1.5049 |
| logSw: | -2.2367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.271 |
| InChI Key: | VKMDMQUHNVTFIT-AWEZNQCLSA-N |