ethyl 4-{[7-(3-hydroxypropyl)-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-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[7-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C470-0611 |
| Compound Name: | ethyl 4-{[7-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C18 H28 N6 O5 |
| Smiles: | CCOC(N1CCN(CC1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1CCCO)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2032 |
| logD: | 0.2014 |
| logSw: | 0.0048 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.099 |
| InChI Key: | YQSPHPSRPKQLAL-UHFFFAOYSA-N |