2-{4-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]phenoxy}-N-[3-(morpholin-4-yl)propyl]acetamide
Chemical Structure Depiction of
2-{4-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]phenoxy}-N-[3-(morpholin-4-yl)propyl]acetamide
2-{4-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]phenoxy}-N-[3-(morpholin-4-yl)propyl]acetamide
Compound characteristics
| Compound ID: | H025-3241 |
| Compound Name: | 2-{4-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]phenoxy}-N-[3-(morpholin-4-yl)propyl]acetamide |
| Molecular Weight: | 524.62 |
| Molecular Formula: | C27 H36 N6 O5 |
| Smiles: | CCN1C(c2c(nc(/C=C/c3ccc(cc3)OCC(NCCCN3CCOCC3)=O)n2C)N(CC)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5713 |
| logD: | 1.1478 |
| logSw: | -2.0708 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.84 |
| InChI Key: | SHHGPWVIOIKLED-UHFFFAOYSA-N |