2-{[ethyl(2-hydroxy-3-phenylpropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[ethyl(2-hydroxy-3-phenylpropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[ethyl(2-hydroxy-3-phenylpropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V015-0713 |
| Compound Name: | 2-{[ethyl(2-hydroxy-3-phenylpropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C22 H27 N3 O2 S |
| Salt: | not_available |
| Smiles: | CCN(CC(Cc1ccccc1)O)CC1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.58 |
| logD: | 3.5787 |
| logSw: | -3.9418 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.051 |
| InChI Key: | NANVBNLEISVFRA-INIZCTEOSA-N |