2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F399-0654 |
| Compound Name: | 2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 501.63 |
| Molecular Formula: | C27 H23 N3 O3 S2 |
| Smiles: | Cc1ccc(C(CSC2=Nc3c4cccnc4sc3C(N2Cc2ccc(cc2)OC)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.881 |
| logD: | 5.881 |
| logSw: | -5.5807 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.462 |
| InChI Key: | REMGEHQTOKOJKD-UHFFFAOYSA-N |