7-tert-butyl-2-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-tert-butyl-2-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
7-tert-butyl-2-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F145-0688 |
| Compound Name: | 7-tert-butyl-2-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 449.61 |
| Molecular Formula: | C26 H31 N3 O2 S |
| Smiles: | CC(C)(C)C1CCc2c3C(NC(CCC(N4CCc5ccccc5C4)=O)=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0135 |
| logD: | 5.0129 |
| logSw: | -4.6606 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.778 |
| InChI Key: | KASOHZISGGVRRF-GOSISDBHSA-N |