ethyl [9-(2H-1,3-benzodioxol-5-yl)-6-carbamoyl-2-(3-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
ethyl [9-(2H-1,3-benzodioxol-5-yl)-6-carbamoyl-2-(3-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
ethyl [9-(2H-1,3-benzodioxol-5-yl)-6-carbamoyl-2-(3-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
Compound characteristics
| Compound ID: | G656-0443 |
| Compound Name: | ethyl [9-(2H-1,3-benzodioxol-5-yl)-6-carbamoyl-2-(3-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate |
| Molecular Weight: | 491.46 |
| Molecular Formula: | C24 H21 N5 O7 |
| Smiles: | CCOC(CN1C(N(c2ccc3c(c2)OCO3)c2c1c(C(N)=O)nc(c1cccc(c1)OC)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6061 |
| logD: | 3.6061 |
| logSw: | -3.9198 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.896 |
| InChI Key: | BPYZLPUBDMFSTL-UHFFFAOYSA-N |