ethyl 4-[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
ethyl 4-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
ethyl 4-[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: | 8019-6178 |
| Compound Name: | ethyl 4-[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: | 459.54 |
| Molecular Formula: | C27 H29 N3 O4 |
| Smiles: | CCOC(c1ccc(cc1)n1cc2c(C(N(C)C(N2C)=O)=O)c1c1ccc(cc1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.925 |
| logD: | 5.925 |
| logSw: | -5.5045 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.541 |
| InChI Key: | HFYDOTQAHWHSRA-UHFFFAOYSA-N |