2-{[3-(3-methoxyphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(3-methoxyphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
2-{[3-(3-methoxyphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V021-5089 |
| Compound Name: | 2-{[3-(3-methoxyphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 429.48 |
| Molecular Formula: | C24 H23 N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(c2c(ncn2Cc2ccccc2C#N)N(C1=O)c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5839 |
| logD: | 3.5839 |
| logSw: | -3.7886 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.146 |
| InChI Key: | QXOIXSRPCKXULM-UHFFFAOYSA-N |