4-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}-3-ethoxybenzaldehyde
Chemical Structure Depiction of
4-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}-3-ethoxybenzaldehyde
4-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}-3-ethoxybenzaldehyde
Compound characteristics
| Compound ID: | C406-0202 |
| Compound Name: | 4-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}-3-ethoxybenzaldehyde |
| Molecular Weight: | 384.39 |
| Molecular Formula: | C19 H20 N4 O5 |
| Smiles: | CCOc1cc(C=O)ccc1Oc1nc2c(C(N(C)C(N2C)=O)=O)n1CC=C |
| Stereo: | ACHIRAL |
| logP: | 2.5662 |
| logD: | 2.5661 |
| logSw: | -2.9257 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.459 |
| InChI Key: | OCUCOWKCYAHPFA-UHFFFAOYSA-N |