2-({[3-(benzyloxy)-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-(benzyloxy)-2-hydroxypropyl](2-methoxyethyl)amino}methyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-({[3-(benzyloxy)-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: | V016-4686 |
| Compound Name: | 2-({[3-(benzyloxy)-2-hydroxypropyl](2-methoxyethyl)amino}methyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C25 H33 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC1CCc2c3C(NC(CN(CCOC)CC(COCc4ccccc4)O)=Nc3sc2C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.282 |
| logD: | 3.2814 |
| logSw: | -3.6177 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.081 |
| InChI Key: | MIRLBDMCEDTWOE-UHFFFAOYSA-N |