2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3949-2425 |
| Compound Name: | 2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C21 H17 N3 O4 S |
| Smiles: | Cc1cc(ccc1c1ccc(C2NC(c3c4CCCCc4sc3N=2)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.069 |
| logD: | 5.064 |
| logSw: | -4.8315 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.495 |
| InChI Key: | JSQJUVBVELPHDB-UHFFFAOYSA-N |