3-(3-chlorophenyl)-7-[(3-methylphenyl)methyl]-1-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-7-[(3-methylphenyl)methyl]-1-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(3-chlorophenyl)-7-[(3-methylphenyl)methyl]-1-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | V025-0139 |
Compound Name: | 3-(3-chlorophenyl)-7-[(3-methylphenyl)methyl]-1-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 408.89 |
Molecular Formula: | C22 H21 Cl N4 O2 |
Salt: | not_available |
Smiles: | CC(C)N1C(c2c(ncn2Cc2cccc(C)c2)N(C1=O)c1cccc(c1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.324 |
logD: | 4.324 |
logSw: | -4.4356 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 42.267 |
InChI Key: | UPGRBGQVKQDJHO-UHFFFAOYSA-N |