N-{4-[5-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[5-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]phenyl}acetamide
N-{4-[5-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]phenyl}acetamide
Compound characteristics
| Compound ID: | D077-0226 |
| Compound Name: | N-{4-[5-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]phenyl}acetamide |
| Molecular Weight: | 422.87 |
| Molecular Formula: | C22 H19 Cl N4 O3 |
| Smiles: | CC(Nc1ccc(cc1)n1cc2c(C(N(C)C(N2C)=O)=O)c1c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3251 |
| logD: | 3.3251 |
| logSw: | -4.2272 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.049 |
| InChI Key: | PVVXZNCQZSQQSY-UHFFFAOYSA-N |