methyl 2-{[1-benzyl-3-(2-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 2-{[1-benzyl-3-(2-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 2-{[1-benzyl-3-(2-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V029-0848 |
| Compound Name: | methyl 2-{[1-benzyl-3-(2-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate |
| Molecular Weight: | 496.52 |
| Molecular Formula: | C28 H24 N4 O5 |
| Salt: | not_available |
| Smiles: | COC(c1ccccc1Cn1cnc2c1C(N(Cc1ccccc1)C(N2c1ccccc1OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8692 |
| logD: | 3.8692 |
| logSw: | -4.032 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.778 |
| InChI Key: | NDFQUQVUARAAOS-UHFFFAOYSA-N |