4-({7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)-3-methoxybenzaldehyde
Chemical Structure Depiction of
4-({7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)-3-methoxybenzaldehyde
4-({7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)-3-methoxybenzaldehyde
Compound characteristics
| Compound ID: | C406-0225 |
| Compound Name: | 4-({7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)-3-methoxybenzaldehyde |
| Molecular Weight: | 489.31 |
| Molecular Formula: | C22 H18 Cl2 N4 O5 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2[Cl])[Cl])Oc2ccc(C=O)cc2OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7439 |
| logD: | 4.7439 |
| logSw: | -5.0965 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.629 |
| InChI Key: | SNSSZKDVRHYSOA-UHFFFAOYSA-N |