methyl 4-{[1-benzyl-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-benzyl-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 4-{[1-benzyl-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V024-0530 |
| Compound Name: | methyl 4-{[1-benzyl-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate |
| Molecular Weight: | 480.52 |
| Molecular Formula: | C28 H24 N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1N1C(N(Cc2ccccc2)C(c2c1ncn2Cc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4716 |
| logD: | 4.4716 |
| logSw: | -4.3874 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.147 |
| InChI Key: | JHAFUJQNCYUPKX-UHFFFAOYSA-N |