3-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile
Chemical Structure Depiction of
3-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile
3-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile
Compound characteristics
| Compound ID: | D077-0145 |
| Compound Name: | 3-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C25 H24 N4 O2 |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c2C(N(C)C(N(C)c2cn1c1cccc(C#N)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9672 |
| logD: | 4.9672 |
| logSw: | -4.6611 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.843 |
| InChI Key: | VTFHKMZXEGPKIL-UHFFFAOYSA-N |