2-{[(2-hydroxy-3-phenylpropyl)(2-methoxyethyl)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-phenylpropyl)(2-methoxyethyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(2-hydroxy-3-phenylpropyl)(2-methoxyethyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V016-8580 |
| Compound Name: | 2-{[(2-hydroxy-3-phenylpropyl)(2-methoxyethyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C24 H31 N3 O3 S |
| Salt: | not_available |
| Smiles: | CC1CCc2c3C(NC(CN(CCOC)CC(Cc4ccccc4)O)=Nc3sc2C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5744 |
| logD: | 3.5738 |
| logSw: | -3.9916 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.647 |
| InChI Key: | WBQBVLFRPTUSMO-UHFFFAOYSA-N |