4-methoxy-3-[({4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]benzaldehyde
Chemical Structure Depiction of
4-methoxy-3-[({4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]benzaldehyde
4-methoxy-3-[({4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]benzaldehyde
Compound characteristics
| Compound ID: | F399-0576 |
| Compound Name: | 4-methoxy-3-[({4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]benzaldehyde |
| Molecular Weight: | 467.56 |
| Molecular Formula: | C23 H21 N3 O4 S2 |
| Smiles: | COc1ccc(C=O)cc1CSC1=Nc2c3cccnc3sc2C(N1CC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3043 |
| logD: | 3.3043 |
| logSw: | -3.473 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.116 |
| InChI Key: | JAQRBIQMBGEGQR-MRXNPFEDSA-N |