1-ethyl-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-ethyl-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1-ethyl-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-6401 |
| Compound Name: | 1-ethyl-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 421.41 |
| Molecular Formula: | C21 H19 N5 O5 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2Cc2cccc(c2)[N+]([O-])=O)N(C1=O)c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7058 |
| logD: | 2.7058 |
| logSw: | -2.8267 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.196 |
| InChI Key: | FJKFYNGQHZXQQQ-UHFFFAOYSA-N |