2-{[(2-hydroxy-3-phenylpropyl)(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-phenylpropyl)(propyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(2-hydroxy-3-phenylpropyl)(propyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V016-3699 |
| Compound Name: | 2-{[(2-hydroxy-3-phenylpropyl)(propyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 411.57 |
| Molecular Formula: | C23 H29 N3 O2 S |
| Salt: | not_available |
| Smiles: | CCCN(CC(Cc1ccccc1)O)CC1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0068 |
| logD: | 4.0055 |
| logSw: | -4.1877 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.305 |
| InChI Key: | ISIPHFQHICBCHV-KRWDZBQOSA-N |