3-(4-chlorophenyl)-5-methyl-N-(2-methyl-5-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
3-(4-chlorophenyl)-5-methyl-N-(2-methyl-5-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
3-(4-chlorophenyl)-5-methyl-N-(2-methyl-5-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | F216-0195 |
| Compound Name: | 3-(4-chlorophenyl)-5-methyl-N-(2-methyl-5-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide |
| Molecular Weight: | 453.84 |
| Molecular Formula: | C21 H16 Cl N5 O5 |
| Smiles: | Cc1ccc(cc1NC(c1cn(C)c2C(N(C(Nc12)=O)c1ccc(cc1)[Cl])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6087 |
| logD: | 2.5427 |
| logSw: | -3.5077 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.089 |
| InChI Key: | MXKQGOFYUIIBMH-UHFFFAOYSA-N |