3-benzyl-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-benzyl-2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-benzyl-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: | F399-0598 |
| Compound Name: | 3-benzyl-2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C26 H21 N3 O2 S2 |
| Smiles: | Cc1ccc(C(CSC2=Nc3c4cccnc4sc3C(N2Cc2ccccc2)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.8986 |
| logD: | 5.8986 |
| logSw: | -5.5496 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.918 |
| InChI Key: | YQMDYPXSOPKVRO-UHFFFAOYSA-N |