methyl 3-[(1-ethyl-2,6-dioxo-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[(1-ethyl-2,6-dioxo-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzoate
methyl 3-[(1-ethyl-2,6-dioxo-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzoate
Compound characteristics
| Compound ID: | V022-1304 |
| Compound Name: | methyl 3-[(1-ethyl-2,6-dioxo-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzoate |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C22 H20 N4 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2Cc2cccc(c2)C(=O)OC)N(C1=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5431 |
| logD: | 2.5431 |
| logSw: | -2.692 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.445 |
| InChI Key: | XNWHCCUTOSPMPG-UHFFFAOYSA-N |