3-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzaldehyde
Chemical Structure Depiction of
3-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzaldehyde
3-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzaldehyde
Compound characteristics
| Compound ID: | C406-0100 |
| Compound Name: | 3-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzaldehyde |
| Molecular Weight: | 424.84 |
| Molecular Formula: | C21 H17 Cl N4 O4 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2[Cl])Oc2cccc(C=O)c2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0355 |
| logD: | 4.0355 |
| logSw: | -4.3947 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.912 |
| InChI Key: | QTRQUEBEEUCTDU-UHFFFAOYSA-N |