2-[(cyclohexyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[(cyclohexyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-[(cyclohexyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V016-9974 |
| Compound Name: | 2-[(cyclohexyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 445.62 |
| Molecular Formula: | C24 H35 N3 O3 S |
| Salt: | not_available |
| Smiles: | CC1CCc2c3C(NC(CN(CC(COCC=C)O)C4CCCCC4)=Nc3sc2C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9512 |
| logD: | 3.95 |
| logSw: | -4.0249 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.815 |
| InChI Key: | GBHOICHOTZDMIM-UHFFFAOYSA-N |