2-({2-[5-(2-chloro-4-nitrophenyl)furan-2-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-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-oxoethyl}sulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-({2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-oxoethyl}sulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8014-7339 |
| Compound Name: | 2-({2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-oxoethyl}sulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 578.06 |
| Molecular Formula: | C28 H20 Cl N3 O5 S2 |
| Smiles: | C1CCc2c(C1)c1C(N(C(=Nc1s2)SCC(c1ccc(c2ccc(cc2[Cl])[N+]([O-])=O)o1)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7359 |
| logD: | 6.7359 |
| logSw: | -6.6691 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.01 |
| InChI Key: | BLZKLVQHFDCCFS-UHFFFAOYSA-N |