2-{[(3-tert-butoxy-2-hydroxypropyl)(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-{[(3-tert-butoxy-2-hydroxypropyl)(2-methoxyethyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(3-tert-butoxy-2-hydroxypropyl)(2-methoxyethyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
Compound ID: | V017-4864 |
Compound Name: | 2-{[(3-tert-butoxy-2-hydroxypropyl)(2-methoxyethyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
Molecular Weight: | 437.6 |
Molecular Formula: | C22 H35 N3 O4 S |
Salt: | not_available |
Smiles: | CC1CCc2c3C(NC(CN(CCOC)CC(COC(C)(C)C)O)=Nc3sc2C1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.1299 |
logD: | 3.1294 |
logSw: | -3.2717 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.631 |
InChI Key: | HEHFMHOLFIAESE-UHFFFAOYSA-N |