2-{[(4-bromophenyl)methyl]sulfanyl}-3-[(oxolan-2-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-3-[(oxolan-2-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[(4-bromophenyl)methyl]sulfanyl}-3-[(oxolan-2-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F399-0588 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-3-[(oxolan-2-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 488.42 |
| Molecular Formula: | C21 H18 Br N3 O2 S2 |
| Smiles: | C1CC(CN2C(=Nc3c4cccnc4sc3C2=O)SCc2ccc(cc2)[Br])OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2532 |
| logD: | 4.2532 |
| logSw: | -4.31 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.326 |
| InChI Key: | KWAYBWCASSJREY-OAHLLOKOSA-N |