2-{[(3-tert-butoxy-2-hydroxypropyl)(3-methoxypropyl)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)(3-methoxypropyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(3-tert-butoxy-2-hydroxypropyl)(3-methoxypropyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V016-4695 |
| Compound Name: | 2-{[(3-tert-butoxy-2-hydroxypropyl)(3-methoxypropyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 451.63 |
| Molecular Formula: | C23 H37 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC1CCc2c3C(NC(CN(CCCOC)CC(COC(C)(C)C)O)=Nc3sc2C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4443 |
| logD: | 3.4435 |
| logSw: | -3.719 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.631 |
| InChI Key: | RIMSVZFXYVEMSW-UHFFFAOYSA-N |