2-(benzylsulfanyl)-3-[(3,4-diethoxyphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-3-[(3,4-diethoxyphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
2-(benzylsulfanyl)-3-[(3,4-diethoxyphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F399-0554 |
| Compound Name: | 2-(benzylsulfanyl)-3-[(3,4-diethoxyphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 503.64 |
| Molecular Formula: | C27 H25 N3 O3 S2 |
| Smiles: | CCOc1ccc(CN2C(=Nc3c4cccnc4sc3C2=O)SCc2ccccc2)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 5.0407 |
| logD: | 5.0407 |
| logSw: | -4.902 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.092 |
| InChI Key: | WRKDJGMKOMFFTB-UHFFFAOYSA-N |