2-{[(6-nitro-1H-indol-3-yl)methyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(6-nitro-1H-indol-3-yl)methyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(6-nitro-1H-indol-3-yl)methyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8009-2617 |
| Compound Name: | 2-{[(6-nitro-1H-indol-3-yl)methyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 488.59 |
| Molecular Formula: | C25 H20 N4 O3 S2 |
| Smiles: | C1CCc2c(C1)c1C(N(C(=Nc1s2)SCc1c[nH]c2cc(ccc12)[N+]([O-])=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8913 |
| logD: | 5.8913 |
| logSw: | -5.8926 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.235 |
| InChI Key: | PVTCWRGSCMYAKJ-UHFFFAOYSA-N |