4-{[1-ethyl-3-(naphthalen-1-yl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[1-ethyl-3-(naphthalen-1-yl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
4-{[1-ethyl-3-(naphthalen-1-yl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V015-9471 |
| Compound Name: | 4-{[1-ethyl-3-(naphthalen-1-yl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 421.46 |
| Molecular Formula: | C25 H19 N5 O2 |
| Smiles: | CCN1C(c2c(ncn2Cc2ccc(C#N)cc2)N(C1=O)c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5907 |
| logD: | 3.5907 |
| logSw: | -3.4488 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.755 |
| InChI Key: | UQXJVBZDLPIBBA-UHFFFAOYSA-N |