3-[(4-methylphenyl)methyl]-2-{[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(4-methylphenyl)methyl]-2-{[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-[(4-methylphenyl)methyl]-2-{[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F399-0672 |
| Compound Name: | 3-[(4-methylphenyl)methyl]-2-{[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 499.65 |
| Molecular Formula: | C28 H25 N3 O2 S2 |
| Smiles: | Cc1ccc(CN2C(=Nc3c4cccnc4sc3C2=O)SCC(c2cc(C)c(C)cc2C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.7977 |
| logD: | 6.7977 |
| logSw: | -5.707 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.918 |
| InChI Key: | CJMSNGHOSQMJOJ-UHFFFAOYSA-N |