methyl 5-[1,3-dimethyl-6-(naphthalen-2-yl)-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[1,3-dimethyl-6-(naphthalen-2-yl)-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate
methyl 5-[1,3-dimethyl-6-(naphthalen-2-yl)-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D517-0036 |
| Compound Name: | methyl 5-[1,3-dimethyl-6-(naphthalen-2-yl)-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C25 H21 N3 O5 S |
| Smiles: | Cc1c(C(=O)OC)c(c(c2c3C(N(C)C(N(C)c3[nH]c2c2ccc3ccccc3c2)=O)=O)s1)O |
| Stereo: | ACHIRAL |
| logP: | 5.0096 |
| logD: | 4.2445 |
| logSw: | -5.401 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.886 |
| InChI Key: | KEGJSXCQCPQVGU-UHFFFAOYSA-N |