ethyl 4-hydroxy-5-[6-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4-hydroxy-5-[6-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylthiophene-3-carboxylate
ethyl 4-hydroxy-5-[6-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylthiophene-3-carboxylate
Compound characteristics
Compound ID: | D517-0171 |
Compound Name: | ethyl 4-hydroxy-5-[6-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylthiophene-3-carboxylate |
Molecular Weight: | 469.52 |
Molecular Formula: | C23 H23 N3 O6 S |
Smiles: | CCOC(c1c(c(c2c3C(N(C)C(N(C)c3[nH]c2c2cccc(c2)OC)=O)=O)sc1C)O)=O |
Stereo: | ACHIRAL |
logP: | 4.2111 |
logD: | 3.4461 |
logSw: | -4.3137 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.281 |
InChI Key: | HOUXSWYXYVOETQ-UHFFFAOYSA-N |