methyl 4-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzoate
Chemical Structure Depiction of
methyl 4-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzoate
methyl 4-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzoate
Compound characteristics
| Compound ID: | 6284-0045 |
| Compound Name: | methyl 4-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzoate |
| Molecular Weight: | 370.36 |
| Molecular Formula: | C18 H18 N4 O5 |
| Smiles: | CN1C(c2c(nc(n2CC=C)Oc2ccc(cc2)C(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1732 |
| logD: | 3.1732 |
| logSw: | -3.3487 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.176 |
| InChI Key: | KBPCDBABQVWNFH-UHFFFAOYSA-N |