ethyl 4-({7-[(2-fluorophenyl)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({7-[(2-fluorophenyl)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate
ethyl 4-({7-[(2-fluorophenyl)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate
Compound characteristics
Compound ID: | C692-0339 |
Compound Name: | ethyl 4-({7-[(2-fluorophenyl)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate |
Molecular Weight: | 444.46 |
Molecular Formula: | C21 H25 F N6 O4 |
Smiles: | CCOC(N1CCN(CC1)Cc1nc2c(C(NC(N2C)=O)=O)n1Cc1ccccc1F)=O |
Stereo: | ACHIRAL |
logP: | 2.138 |
logD: | 2.1358 |
logSw: | -2.7816 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.107 |
InChI Key: | QMZADSFKZQNEOQ-UHFFFAOYSA-N |