3-{[(3-benzyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
Chemical Structure Depiction of
3-{[(3-benzyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
3-{[(3-benzyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
Compound characteristics
| Compound ID: | F399-0605 |
| Compound Name: | 3-{[(3-benzyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}-4-methoxybenzaldehyde |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C25 H19 N3 O3 S2 |
| Smiles: | COc1ccc(C=O)cc1CSC1=Nc2c3cccnc3sc2C(N1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8616 |
| logD: | 4.8616 |
| logSw: | -4.9349 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.461 |
| InChI Key: | KDRYGFQEQCUCSC-UHFFFAOYSA-N |