2-({2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-({2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-({2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8011-3970 |
| Compound Name: | 2-({2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 573.76 |
| Molecular Formula: | C29 H27 N5 O2 S3 |
| Smiles: | C1CCc2c(C1)c1C(N(C(=Nc1s2)SCC(N1CCN(CC1)c1nc2ccccc2s1)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.686 |
| logD: | 5.686 |
| logSw: | -5.7621 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.171 |
| InChI Key: | DWIRPHGVDWUMSC-UHFFFAOYSA-N |