4-[2-(butan-2-yl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]-N-(3,4-difluorophenyl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-[2-(butan-2-yl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]-N-(3,4-difluorophenyl)piperazine-1-carboxamide
4-[2-(butan-2-yl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]-N-(3,4-difluorophenyl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V011-8709 |
| Compound Name: | 4-[2-(butan-2-yl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]-N-(3,4-difluorophenyl)piperazine-1-carboxamide |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C26 H31 F2 N5 O S |
| Smiles: | CCC(C)c1nc(c2c3CCC(C)Cc3sc2n1)N1CCN(CC1)C(Nc1ccc(c(c1)F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.1093 |
| logD: | 6.6911 |
| logSw: | -5.9187 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.497 |
| InChI Key: | AGOMVJHSZAQFEQ-UHFFFAOYSA-N |