methyl 2-[2-(5,6-dimethyl-2,4-dioxo-3-phenyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(5,6-dimethyl-2,4-dioxo-3-phenyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl)acetamido]benzoate
methyl 2-[2-(5,6-dimethyl-2,4-dioxo-3-phenyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | S348-1420 |
| Compound Name: | methyl 2-[2-(5,6-dimethyl-2,4-dioxo-3-phenyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl)acetamido]benzoate |
| Molecular Weight: | 446.46 |
| Molecular Formula: | C24 H22 N4 O5 |
| Smiles: | Cc1cc2c(C(N(C(N2CC(Nc2ccccc2C(=O)OC)=O)=O)c2ccccc2)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 2.2135 |
| logD: | 2.2028 |
| logSw: | -3.1816 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.925 |
| InChI Key: | ZZQYKIUPHXPHLE-UHFFFAOYSA-N |