N-(3-cyanophenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide
N-(3-cyanophenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide
Compound characteristics
| Compound ID: | S348-2016 |
| Compound Name: | N-(3-cyanophenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl]acetamide |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C24 H21 N5 O3 |
| Smiles: | Cc1cccc(c1)N1C(c2c(cc(C)n2C)N(CC(Nc2cccc(C#N)c2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9698 |
| logD: | 2.9697 |
| logSw: | -3.2332 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.505 |
| InChI Key: | KRVMMNCDSUHZIE-UHFFFAOYSA-N |