ethyl 4-hydroxy-2-methyl-5-[1-methyl-6-(naphthalen-2-yl)-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4-hydroxy-2-methyl-5-[1-methyl-6-(naphthalen-2-yl)-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-3-carboxylate
ethyl 4-hydroxy-2-methyl-5-[1-methyl-6-(naphthalen-2-yl)-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D517-0032 |
| Compound Name: | ethyl 4-hydroxy-2-methyl-5-[1-methyl-6-(naphthalen-2-yl)-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-3-carboxylate |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C25 H21 N3 O5 S |
| Smiles: | CCOC(c1c(c(c2c3C(NC(N(C)c3[nH]c2c2ccc3ccccc3c2)=O)=O)sc1C)O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0719 |
| logD: | 4.3069 |
| logSw: | -5.3975 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.379 |
| InChI Key: | UXMHZTRQGMOAMS-UHFFFAOYSA-N |