methyl 4-hydroxy-5-[6-(6-methoxynaphthalen-2-yl)-1-methyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 4-hydroxy-5-[6-(6-methoxynaphthalen-2-yl)-1-methyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylthiophene-3-carboxylate
methyl 4-hydroxy-5-[6-(6-methoxynaphthalen-2-yl)-1-methyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D517-0089 |
| Compound Name: | methyl 4-hydroxy-5-[6-(6-methoxynaphthalen-2-yl)-1-methyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylthiophene-3-carboxylate |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C25 H21 N3 O6 S |
| Smiles: | Cc1c(C(=O)OC)c(c(c2c3C(NC(N(C)c3[nH]c2c2ccc3cc(ccc3c2)OC)=O)=O)s1)O |
| Stereo: | ACHIRAL |
| logP: | 4.7556 |
| logD: | 3.9905 |
| logSw: | -5.0398 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.343 |
| InChI Key: | GVWMOLPQPJRPSO-UHFFFAOYSA-N |