2-(1H-benzimidazol-2-yl)-3-{3-methoxy-4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]phenyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-{3-methoxy-4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]phenyl}prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-{3-methoxy-4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]phenyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | 3277-0032 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-{3-methoxy-4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]phenyl}prop-2-enenitrile |
| Molecular Weight: | 483.49 |
| Molecular Formula: | C25 H21 N7 O4 |
| Smiles: | CN1C(c2c(nc(n2C)Oc2ccc(/C=C(C#N)/c3nc4ccccc4[nH]3)cc2OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5661 |
| logD: | 3.5649 |
| logSw: | -3.9173 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.627 |
| InChI Key: | WVOGLDFEHZMYKC-UHFFFAOYSA-N |