3-(2-methylphenyl)-7-[(3-nitrophenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(2-methylphenyl)-7-[(3-nitrophenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(2-methylphenyl)-7-[(3-nitrophenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-1837 |
| Compound Name: | 3-(2-methylphenyl)-7-[(3-nitrophenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 417.42 |
| Molecular Formula: | C22 H19 N5 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1N1C(N(CC=C)C(c2c1ncn2Cc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1251 |
| logD: | 3.1251 |
| logSw: | -3.3298 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.605 |
| InChI Key: | FNHYROLXCFZUEL-UHFFFAOYSA-N |