2-{[benzyl(3-ethoxy-2-hydroxypropyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[benzyl(3-ethoxy-2-hydroxypropyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[benzyl(3-ethoxy-2-hydroxypropyl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V016-9940 |
| Compound Name: | 2-{[benzyl(3-ethoxy-2-hydroxypropyl)amino]methyl}-7-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 |
| Salt: | not_available |
| Smiles: | CCOCC(CN(CC1NC(c2c3CCC(C)Cc3sc2N=1)=O)Cc1ccccc1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6336 |
| logD: | 3.6295 |
| logSw: | -4.1598 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.385 |
| InChI Key: | FOLSMWSCKMCQCP-UHFFFAOYSA-N |