7-[(3-chlorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-5466 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 434.92 |
| Molecular Formula: | C24 H23 Cl N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(CC=C)C(c2c1ncn2Cc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8284 |
| logD: | 4.8284 |
| logSw: | -5.0337 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.524 |
| InChI Key: | YRZFOBYDRSOBOR-UHFFFAOYSA-N |