methyl 5-[6-(5-chlorothiophen-2-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-(5-chlorothiophen-2-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-(5-chlorothiophen-2-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: | D343-0175 |
| Compound Name: | methyl 5-[6-(5-chlorothiophen-2-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: | 451.91 |
| Molecular Formula: | C18 H14 Cl N3 O5 S2 |
| Smiles: | Cc1c(C(=O)OC)c(c(c2c3C(NC(N(C)c3[nH]c2c2ccc(s2)[Cl])=O)=O)s1)O |
| Stereo: | ACHIRAL |
| logP: | 4.036 |
| logD: | 3.7785 |
| logSw: | -4.5594 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.09 |
| InChI Key: | KIVQZTYPFLPXCC-UHFFFAOYSA-N |