2-{[(2-hydroxy-3-phenylpropyl)(3-methylbutyl)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)(3-methylbutyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(2-hydroxy-3-phenylpropyl)(3-methylbutyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V016-3679 |
| Compound Name: | 2-{[(2-hydroxy-3-phenylpropyl)(3-methylbutyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 453.65 |
| Molecular Formula: | C26 H35 N3 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)CCN(CC(Cc1ccccc1)O)CC1NC(c2c3CCC(C)Cc3sc2N=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2922 |
| logD: | 5.2911 |
| logSw: | -5.1462 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.305 |
| InChI Key: | LYGLZGJXFZAWCO-UHFFFAOYSA-N |