methyl 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
Chemical Structure Depiction of
methyl 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
methyl 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
Compound characteristics
| Compound ID: | D077-0138 |
| Compound Name: | methyl 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C26 H27 N3 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c2C(N(C)C(N(C)c2cn1c1ccccc1C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1288 |
| logD: | 5.1288 |
| logSw: | -4.9841 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.66 |
| InChI Key: | MSQSOJBMFRROHV-UHFFFAOYSA-N |