2-({[2-hydroxy-3-(2-methylphenoxy)propyl](propyl)amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-({[2-hydroxy-3-(2-methylphenoxy)propyl](propyl)amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-({[2-hydroxy-3-(2-methylphenoxy)propyl](propyl)amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V017-0006 |
| Compound Name: | 2-({[2-hydroxy-3-(2-methylphenoxy)propyl](propyl)amino}methyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C24 H31 N3 O3 S |
| Smiles: | CCCN(CC(COc1ccccc1C)O)CC1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5428 |
| logD: | 4.5416 |
| logSw: | -4.4048 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.89 |
| InChI Key: | KOVAHMUNSYSFBQ-KRWDZBQOSA-N |