2-{[1-ethyl-3-(3-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[1-ethyl-3-(3-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
2-{[1-ethyl-3-(3-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V018-8611 |
| Compound Name: | 2-{[1-ethyl-3-(3-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C22 H19 N5 O2 |
| Smiles: | CCN1C(c2c(ncn2Cc2ccccc2C#N)N(C1=O)c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.008 |
| logD: | 3.008 |
| logSw: | -3.3099 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.327 |
| InChI Key: | LLCBVJORLFJSTA-UHFFFAOYSA-N |