2-{[2-(2,5-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-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(2,5-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: | F399-0652 |
| Compound Name: | 2-{[2-(2,5-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)c(c1)C(CSC1=Nc2c3cccnc3sc2C(N1Cc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7536 |
| logD: | 5.7536 |
| logSw: | -5.5559 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.462 |
| InChI Key: | VRYIDRXNVKRQMU-UHFFFAOYSA-N |