2-{[{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}(3-methoxypropyl)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-en-1-yl)oxy]propyl}(3-methoxypropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}(3-methoxypropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V022-3075 |
| Compound Name: | 2-{[{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}(3-methoxypropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C21 H31 N3 O4 S |
| Smiles: | COCCCN(CC(COCC=C)O)CC1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0629 |
| logD: | 2.0622 |
| logSw: | -2.5423 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.271 |
| InChI Key: | QNPDANXDLKVSPY-HNNXBMFYSA-N |