2-[5-nitro-2-(2-phenoxyethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[5-nitro-2-(2-phenoxyethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-[5-nitro-2-(2-phenoxyethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3810-0403 |
| Compound Name: | 2-[5-nitro-2-(2-phenoxyethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C24 H21 N3 O5 S |
| Smiles: | C1CCc2c(C1)c1C(NC(c3cc(ccc3OCCOc3ccccc3)[N+]([O-])=O)=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9409 |
| logD: | 3.427 |
| logSw: | -4.886 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.746 |
| InChI Key: | DREAIFDXKDNMNS-UHFFFAOYSA-N |