ethyl 4-[(7-hexyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(7-hexyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate
ethyl 4-[(7-hexyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C470-0685 |
| Compound Name: | ethyl 4-[(7-hexyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate |
| Molecular Weight: | 434.54 |
| Molecular Formula: | C21 H34 N6 O4 |
| Smiles: | CCCCCCn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1303 |
| logD: | 3.1286 |
| logSw: | -2.7935 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.443 |
| InChI Key: | NMHBQDOEAYPFAW-UHFFFAOYSA-N |