2-{[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F396-0703 |
| Compound Name: | 2-{[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C22 H26 N4 O3 S2 |
| Smiles: | CC1CCCN(C1)C(CSC1=Nc2c3cccnc3sc2C(N1CC1CCCO1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7243 |
| logD: | 2.7243 |
| logSw: | -2.8273 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.652 |
| InChI Key: | SMPQKDQGPHEHLD-UHFFFAOYSA-N |