methyl 5-[6-(2,3-dihydro-1,4-benzodioxin-6-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-[6-(2,3-dihydro-1,4-benzodioxin-6-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-[6-(2,3-dihydro-1,4-benzodioxin-6-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: | D343-0078 |
| Compound Name: | methyl 5-[6-(2,3-dihydro-1,4-benzodioxin-6-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: | 455.44 |
| Molecular Formula: | C21 H17 N3 O7 S |
| Smiles: | Cc1c(C(=O)OC)c(c(c2c3C(NC(Nc3[nH]c2c2ccc3c(c2)OCCO3)=O)=O)s1)O |
| Stereo: | ACHIRAL |
| logP: | 2.0148 |
| logD: | 1.2497 |
| logSw: | -2.7824 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 113.053 |
| InChI Key: | AGUCEYLGHGDAKM-UHFFFAOYSA-N |