methyl 5-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-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-methyl-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-methyl-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: | D343-0079 |
| Compound Name: | methyl 5-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate |
| Molecular Weight: | 469.47 |
| Molecular Formula: | C22 H19 N3 O7 S |
| Smiles: | Cc1c(C(=O)OC)c(c(c2c3C(NC(N(C)c3[nH]c2c2ccc3c(c2)OCCO3)=O)=O)s1)O |
| Stereo: | ACHIRAL |
| logP: | 2.5085 |
| logD: | 1.7435 |
| logSw: | -2.9675 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.894 |
| InChI Key: | BIEBOCALVCZIFZ-UHFFFAOYSA-N |