1,3,6-trimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
1,3,6-trimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
1,3,6-trimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0347 |
| Compound Name: | 1,3,6-trimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 314.3 |
| Molecular Formula: | C15 H14 N4 O4 |
| Smiles: | CN1C(c2c(cn(C)c2c2cccc(c2)[N+]([O-])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9273 |
| logD: | 1.9273 |
| logSw: | -2.2864 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.537 |
| InChI Key: | UURJCCQGWKVZOY-UHFFFAOYSA-N |