6-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0354 |
| Compound Name: | 6-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 424.84 |
| Molecular Formula: | C21 H17 Cl N4 O4 |
| Smiles: | CN1C(c2c(cn(Cc3ccc(cc3)[Cl])c2c2cccc(c2)[N+]([O-])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0597 |
| logD: | 4.0597 |
| logSw: | -4.6487 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.71 |
| InChI Key: | HLGHMVWYCNMHGC-UHFFFAOYSA-N |