9-(benzylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
9-(benzylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
9-(benzylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | 3455-0428 |
| Compound Name: | 9-(benzylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 376.5 |
| Molecular Formula: | C21 H16 N2 O S2 |
| Smiles: | C1Cc2c3C(NC(=Nc3sc2c2ccccc12)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.911 |
| logD: | 4.9101 |
| logSw: | -4.9899 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.052 |
| InChI Key: | KPVKCWLSZGXWMJ-UHFFFAOYSA-N |