3-[(3-benzyl-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)methyl]-4-methoxybenzaldehyde
Chemical Structure Depiction of
3-[(3-benzyl-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)methyl]-4-methoxybenzaldehyde
3-[(3-benzyl-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)methyl]-4-methoxybenzaldehyde
Compound characteristics
| Compound ID: | C258-0454 |
| Compound Name: | 3-[(3-benzyl-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)methyl]-4-methoxybenzaldehyde |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C25 H22 N2 O4 S |
| Smiles: | COc1ccc(C=O)cc1CN1C(N(Cc2ccccc2)C(c2c3CCCc3sc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7726 |
| logD: | 4.7726 |
| logSw: | -4.7413 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.795 |
| InChI Key: | INALYAJJHUPJCV-UHFFFAOYSA-N |