N-{3-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]phenyl}acetamide
Chemical Structure Depiction of
N-{3-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]phenyl}acetamide
N-{3-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]phenyl}acetamide
Compound characteristics
| Compound ID: | D077-0371 |
| Compound Name: | N-{3-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]phenyl}acetamide |
| Molecular Weight: | 433.42 |
| Molecular Formula: | C22 H19 N5 O5 |
| Smiles: | CC(Nc1cccc(c1)n1cc2c(C(N(C)C(N2C)=O)=O)c1c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9681 |
| logD: | 2.9681 |
| logSw: | -3.379 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.431 |
| InChI Key: | YDQVIHHTABJRHZ-UHFFFAOYSA-N |