3-[(4-chlorophenyl)methyl]-2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-[(4-chlorophenyl)methyl]-2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F399-0613 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 506.04 |
| Molecular Formula: | C26 H20 Cl N3 O2 S2 |
| Smiles: | Cc1ccc(C(CSC2=Nc3c4cccnc4sc3C(N2Cc2ccc(cc2)[Cl])=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4934 |
| logD: | 6.4933 |
| logSw: | -6.1471 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.918 |
| InChI Key: | WULLTVOVGCLFRU-UHFFFAOYSA-N |