{4-[7-methyl-2-(propan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[7-methyl-2-(propan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone
{4-[7-methyl-2-(propan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V012-3133 |
| Compound Name: | {4-[7-methyl-2-(propan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C25 H29 N5 O3 S |
| Salt: | not_available |
| Smiles: | CC1CCc2c3c(nc(C(C)C)nc3sc2C1)N1CCN(CC1)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7818 |
| logD: | 5.4295 |
| logSw: | -5.74 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.058 |
| InChI Key: | BGHLPXQCNNEDSZ-MRXNPFEDSA-N |