2-{[3-(2-chlorophenyl)-1-ethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(2-chlorophenyl)-1-ethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
2-{[3-(2-chlorophenyl)-1-ethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V029-7508 |
| Compound Name: | 2-{[3-(2-chlorophenyl)-1-ethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 405.84 |
| Molecular Formula: | C21 H16 Cl N5 O2 |
| Smiles: | CCN1C(c2c(ncn2Cc2ccccc2C#N)N(C1=O)c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.998 |
| logD: | 2.998 |
| logSw: | -3.5781 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.026 |
| InChI Key: | UXATZBKTHIWERL-UHFFFAOYSA-N |