1,3-dimethyl-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2713-0115 |
| Compound Name: | 1,3-dimethyl-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 315.29 |
| Molecular Formula: | C14 H13 N5 O4 |
| Smiles: | CN1C(c2c(ncn2Cc2ccc(cc2)[N+]([O-])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3015 |
| logD: | 1.3015 |
| logSw: | -2.0756 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.342 |
| InChI Key: | YKLFMAVWWVUBHN-UHFFFAOYSA-N |