methyl 4-{[1-benzyl-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-benzyl-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 4-{[1-benzyl-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V021-6023 |
| Compound Name: | methyl 4-{[1-benzyl-3-(3-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(c1ccc(Cn2cnc3c2C(N(Cc2ccccc2)C(N3c2cccc(c2)OC)=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2074 |
| logD: | 4.2074 |
| logSw: | -4.448 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.992 |
| InChI Key: | ONOZHAXMAMRUOX-UHFFFAOYSA-N |