9-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
9-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
9-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | 3455-0430 |
| Compound Name: | 9-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 438.95 |
| Molecular Formula: | C22 H15 Cl N2 O2 S2 |
| Smiles: | C1Cc2c3C(NC(=Nc3sc2c2ccccc12)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3084 |
| logD: | 5.3073 |
| logSw: | -6.079 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.299 |
| InChI Key: | FWSMNCJYDNHJEA-UHFFFAOYSA-N |