ethyl 4-{[7-(2-amino-2-oxoethyl)-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-amino-2-oxoethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[7-(2-amino-2-oxoethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C692-0564 |
| Compound Name: | ethyl 4-{[7-(2-amino-2-oxoethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 393.4 |
| Molecular Formula: | C16 H23 N7 O5 |
| Smiles: | CCOC(N1CCN(CC1)Cc1nc2c(C(NC(N2C)=O)=O)n1CC(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.9522 |
| logD: | -0.9555 |
| logSw: | -1.0964 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.767 |
| InChI Key: | VECITADPHDANHG-UHFFFAOYSA-N |