7-[(3-chlorophenyl)methyl]-1-cyclopropyl-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-1-cyclopropyl-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-1-cyclopropyl-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-4605 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-1-cyclopropyl-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 406.87 |
| Molecular Formula: | C22 H19 Cl N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)N1C(N(C2CC2)C(c2c1ncn2Cc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8962 |
| logD: | 3.8962 |
| logSw: | -4.0708 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.827 |
| InChI Key: | QVCJQRXCBFTCRI-UHFFFAOYSA-N |