1-{4-[2-(butan-2-yl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[2-(butan-2-yl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one
1-{4-[2-(butan-2-yl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | V011-8626 |
| Compound Name: | 1-{4-[2-(butan-2-yl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 480.65 |
| Molecular Formula: | C27 H33 F N4 O S |
| Salt: | not_available |
| Smiles: | CCC(C)c1nc(c2c3CCC(C)Cc3sc2n1)N1CCN(CC1)C(Cc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7007 |
| logD: | 6.2825 |
| logSw: | -5.9136 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.149 |
| InChI Key: | JBPAKINHBVNICP-UHFFFAOYSA-N |