3-(4-chlorophenyl)-7-[(3,4-dichlorophenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-7-[(3,4-dichlorophenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(4-chlorophenyl)-7-[(3,4-dichlorophenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V030-2345 |
| Compound Name: | 3-(4-chlorophenyl)-7-[(3,4-dichlorophenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 461.73 |
| Molecular Formula: | C21 H15 Cl3 N4 O2 |
| Salt: | not_available |
| Smiles: | C=CCN1C(c2c(ncn2Cc2ccc(c(c2)[Cl])[Cl])N(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7466 |
| logD: | 4.7466 |
| logSw: | -4.9056 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.524 |
| InChI Key: | BQBDSWLXQSACHO-UHFFFAOYSA-N |