2-({[3-(benzyloxy)-2-hydroxypropyl](2-methylpropyl)amino}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-methylpropyl)amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-({[3-(benzyloxy)-2-hydroxypropyl](2-methylpropyl)amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V016-3713 |
| Compound Name: | 2-({[3-(benzyloxy)-2-hydroxypropyl](2-methylpropyl)amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 455.62 |
| Molecular Formula: | C25 H33 N3 O3 S |
| Smiles: | CC(C)CN(CC(COCc1ccccc1)O)CC1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1731 |
| logD: | 4.1718 |
| logSw: | -4.4039 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.76 |
| InChI Key: | MNQGSHGBSQPALG-IBGZPJMESA-N |