3-(3-chlorophenyl)-7-[(3-nitrophenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-7-[(3-nitrophenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(3-chlorophenyl)-7-[(3-nitrophenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-5400 |
| Compound Name: | 3-(3-chlorophenyl)-7-[(3-nitrophenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 437.84 |
| Molecular Formula: | C21 H16 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | C=CCN1C(c2c(ncn2Cc2cccc(c2)[N+]([O-])=O)N(C1=O)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3365 |
| logD: | 3.3365 |
| logSw: | -3.4694 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.906 |
| InChI Key: | YXEPAVRKJNBSBH-UHFFFAOYSA-N |