methyl 5-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-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)-1,3-dimethyl-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)-1,3-dimethyl-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: | D343-0080 |
| Compound Name: | methyl 5-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate |
| Molecular Weight: | 483.5 |
| Molecular Formula: | C23 H21 N3 O7 S |
| Smiles: | Cc1c(C(=O)OC)c(c(c2c3C(N(C)C(N(C)c3[nH]c2c2ccc3c(c2)OCCO3)=O)=O)s1)O |
| Stereo: | ACHIRAL |
| logP: | 2.8285 |
| logD: | 2.0635 |
| logSw: | -3.2396 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.98 |
| InChI Key: | XJIJJOKLZSSUDQ-UHFFFAOYSA-N |