ethyl 4-[(7-butyl-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-butyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate
ethyl 4-[(7-butyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C692-0105 |
| Compound Name: | ethyl 4-[(7-butyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate |
| Molecular Weight: | 392.46 |
| Molecular Formula: | C18 H28 N6 O4 |
| Smiles: | CCCCn1c2C(NC(N(C)c2nc1CN1CCN(CC1)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5715 |
| logD: | 1.5649 |
| logSw: | -2.0238 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.357 |
| InChI Key: | ULKFFEYQYSHSHH-UHFFFAOYSA-N |