methyl 3-[(7-heptyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate
Chemical Structure Depiction of
methyl 3-[(7-heptyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate
methyl 3-[(7-heptyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate
Compound characteristics
| Compound ID: | C406-0160 |
| Compound Name: | methyl 3-[(7-heptyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C22 H28 N4 O5 |
| Smiles: | CCCCCCCn1c2C(N(C)C(N(C)c2nc1Oc1cccc(c1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3506 |
| logD: | 5.3506 |
| logSw: | -5.2745 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.176 |
| InChI Key: | VCLLGGMHQPVSGB-UHFFFAOYSA-N |