N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorophenyl)-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorophenyl)-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorophenyl)-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | F216-0131 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorophenyl)-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide |
| Molecular Weight: | 452.85 |
| Molecular Formula: | C22 H17 Cl N4 O5 |
| Smiles: | Cn1cc(C(NCc2ccc3c(c2)OCO3)=O)c2c1C(N(C(N2)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4914 |
| logD: | 2.1959 |
| logSw: | -3.5637 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.843 |
| InChI Key: | OLITUEGVSBBVKP-UHFFFAOYSA-N |