2-{[2-(2-chlorophenyl)-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-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(2-chlorophenyl)-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: | F399-0558 |
| Compound Name: | 2-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-3-[(oxolan-2-yl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 471.98 |
| Molecular Formula: | C22 H18 Cl N3 O3 S2 |
| Smiles: | C1CC(CN2C(=Nc3c4cccnc4sc3C2=O)SCC(c2ccccc2[Cl])=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8525 |
| logD: | 3.8525 |
| logSw: | -4.2783 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.573 |
| InChI Key: | SNMDYIUVYWKIAK-CYBMUJFWSA-N |