3-(4-ethoxyphenyl)-5,6-dimethyl-1-[2-(3-nitrophenyl)-2-oxoethyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-5,6-dimethyl-1-[2-(3-nitrophenyl)-2-oxoethyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
3-(4-ethoxyphenyl)-5,6-dimethyl-1-[2-(3-nitrophenyl)-2-oxoethyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
Compound ID: | C200-0587 |
Compound Name: | 3-(4-ethoxyphenyl)-5,6-dimethyl-1-[2-(3-nitrophenyl)-2-oxoethyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
Molecular Weight: | 479.51 |
Molecular Formula: | C24 H21 N3 O6 S |
Smiles: | CCOc1ccc(cc1)N1C(c2c(C)c(C)sc2N(CC(c2cccc(c2)[N+]([O-])=O)=O)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 4.4985 |
logD: | 4.4985 |
logSw: | -4.5485 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 84.859 |
InChI Key: | DJNUCUPQCJWYSI-UHFFFAOYSA-N |