methyl 3-({7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzoate
Chemical Structure Depiction of
methyl 3-({7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzoate
methyl 3-({7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzoate
Compound characteristics
| Compound ID: | 6284-0010 |
| Compound Name: | methyl 3-({7-[(4-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzoate |
| Molecular Weight: | 499.32 |
| Molecular Formula: | C22 H19 Br N4 O5 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2)[Br])Oc2cccc(c2)C(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8338 |
| logD: | 4.8338 |
| logSw: | -4.7898 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.926 |
| InChI Key: | XQJNDIFOVBRCFP-UHFFFAOYSA-N |