2-(1H-benzimidazol-2-yl)-3-{3-ethoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-{3-ethoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-{3-ethoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | C679-0559 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-{3-ethoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enenitrile |
| Molecular Weight: | 484.54 |
| Molecular Formula: | C25 H20 N6 O3 S |
| Smiles: | CCOc1cc(/C=C(C#N)/c2nc3ccccc3[nH]2)ccc1OCC1=CC(N2C(=N1)SC(C)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6017 |
| logD: | 3.5957 |
| logSw: | -3.8019 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.316 |
| InChI Key: | DJNUPBBTIQQYMJ-UHFFFAOYSA-N |