ethyl 4-({7-[(2-chloro-6-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-chloro-6-fluorophenyl)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate
ethyl 4-({7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C692-0395 |
| Compound Name: | ethyl 4-({7-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate |
| Molecular Weight: | 478.91 |
| Molecular Formula: | C21 H24 Cl F N6 O4 |
| Smiles: | CCOC(N1CCN(CC1)Cc1nc2c(C(NC(N2C)=O)=O)n1Cc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4731 |
| logD: | 2.4709 |
| logSw: | -3.3383 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.107 |
| InChI Key: | QKNYUCHDJHQSJV-UHFFFAOYSA-N |