2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propan-2-yl)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}(propan-2-yl)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}(propan-2-yl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V022-3097 |
| Compound Name: | 2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propan-2-yl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 389.52 |
| Molecular Formula: | C20 H27 N3 O3 S |
| Smiles: | CC(C)N(CC(COCC#C)O)CC1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2681 |
| logD: | 2.267 |
| logSw: | -2.6565 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.586 |
| InChI Key: | WCDULTWVGUBPHO-AWEZNQCLSA-N |