2-(3-methoxyphenyl)-3-[(3-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(3-methoxyphenyl)-3-[(3-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-(3-methoxyphenyl)-3-[(3-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K698-0429 |
| Compound Name: | 2-(3-methoxyphenyl)-3-[(3-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C24 H21 N3 O4 S |
| Smiles: | COc1cccc(c1)C1=Nc2c(C(N1Cc1cccc(c1)[N+]([O-])=O)=O)c1CCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 5.4513 |
| logD: | 5.4513 |
| logSw: | -5.4236 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.098 |
| InChI Key: | JSLCHTHPMQHEAE-UHFFFAOYSA-N |