2-({[3-(benzyloxy)-2-hydroxypropyl](2-methoxyethyl)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-methoxyethyl)amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-({[3-(benzyloxy)-2-hydroxypropyl](2-methoxyethyl)amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V022-3042 |
| Compound Name: | 2-({[3-(benzyloxy)-2-hydroxypropyl](2-methoxyethyl)amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C24 H31 N3 O4 S |
| Salt: | not_available |
| Smiles: | COCCN(CC(COCc1ccccc1)O)CC1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.848 |
| logD: | 2.8475 |
| logSw: | -3.4273 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.081 |
| InChI Key: | JXKDIYXOJREDBC-SFHVURJKSA-N |