methyl 2-{2-[5,6-dimethyl-3-(4-methylphenyl)-2,4-dioxo-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-3-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamido}benzoate
methyl 2-{2-[5,6-dimethyl-3-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | S348-1645 |
| Compound Name: | methyl 2-{2-[5,6-dimethyl-3-(4-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamido}benzoate |
| Molecular Weight: | 460.49 |
| Molecular Formula: | C25 H24 N4 O5 |
| Smiles: | Cc1ccc(cc1)N1C(c2c(cc(C)n2C)N(CC(Nc2ccccc2C(=O)OC)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7584 |
| logD: | 2.7477 |
| logSw: | -3.3311 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.925 |
| InChI Key: | IFMQTDHRFWIRRF-UHFFFAOYSA-N |