methyl 4-{[1-(2-methoxyethyl)-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(2-methoxyethyl)-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 4-{[1-(2-methoxyethyl)-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V020-8338 |
| Compound Name: | methyl 4-{[1-(2-methoxyethyl)-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate |
| Molecular Weight: | 448.48 |
| Molecular Formula: | C24 H24 N4 O5 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1N1C(N(CCOC)C(c2c1ncn2Cc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7456 |
| logD: | 2.7456 |
| logSw: | -2.8459 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.74 |
| InChI Key: | KOAQWNHGXUIYIB-UHFFFAOYSA-N |