1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | 5339-0161 |
Compound Name: | 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 446.35 |
Molecular Formula: | C20 H24 Br N5 O2 |
Smiles: | CC1CCN(CC1)c1nc2c(C(N(Cc3ccc(cc3)[Br])C(N2C)=O)=O)n1C |
Stereo: | ACHIRAL |
logP: | 4.2473 |
logD: | 4.2456 |
logSw: | -4.1316 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 46.742 |
InChI Key: | AHFSMXJYZIFBMZ-UHFFFAOYSA-N |