4-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethyl]benzoic acid
Chemical Structure Depiction of
4-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethyl]benzoic acid
4-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethyl]benzoic acid
Compound characteristics
| Compound ID: | H025-3248 |
| Compound Name: | 4-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethyl]benzoic acid |
| Molecular Weight: | 370.41 |
| Molecular Formula: | C19 H22 N4 O4 |
| Smiles: | CCN1C(c2c(nc(CCc3ccc(cc3)C(O)=O)n2C)N(CC)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0374 |
| logD: | 0.0659 |
| logSw: | -2.9932 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.817 |
| InChI Key: | YCYAQXOKPWOEEF-UHFFFAOYSA-N |