2-{[3-(3-chlorophenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(3-chlorophenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
2-{[3-(3-chlorophenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V018-2006 |
| Compound Name: | 2-{[3-(3-chlorophenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 433.9 |
| Molecular Formula: | C23 H20 Cl N5 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(c2c(ncn2Cc2ccccc2C#N)N(C1=O)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0595 |
| logD: | 4.0595 |
| logSw: | -4.3139 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.602 |
| InChI Key: | KSAAKDSSNVFORC-UHFFFAOYSA-N |