methyl 4-[(1,3-dimethyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate
Chemical Structure Depiction of
methyl 4-[(1,3-dimethyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate
methyl 4-[(1,3-dimethyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate
Compound characteristics
| Compound ID: | C406-0212 |
| Compound Name: | methyl 4-[(1,3-dimethyl-7-octyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C23 H30 N4 O5 |
| Smiles: | CCCCCCCCn1c2C(N(C)C(N(C)c2nc1Oc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9721 |
| logD: | 5.9721 |
| logSw: | -5.4392 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.176 |
| InChI Key: | AWZCGDAXCQMINQ-UHFFFAOYSA-N |