3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | D390-0881 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 396.85 |
| Molecular Formula: | C20 H13 Cl N2 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C=Nc2c(C1=O)c(cs2)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3223 |
| logD: | 4.3223 |
| logSw: | -4.9204 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.085 |
| InChI Key: | YNPQVOXYZASTQZ-UHFFFAOYSA-N |