6-(3-methoxyphenyl)-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-(3-methoxyphenyl)-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-(3-methoxyphenyl)-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0405 |
| Compound Name: | 6-(3-methoxyphenyl)-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 406.4 |
| Molecular Formula: | C21 H18 N4 O5 |
| Smiles: | CN1C(c2c(cn(c3cccc(c3)OC)c2c2cccc(c2)[N+]([O-])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6947 |
| logD: | 3.6947 |
| logSw: | -4.2131 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.713 |
| InChI Key: | KJXYGYACZCDJJQ-UHFFFAOYSA-N |