2-(1H-benzimidazol-2-yl)-3-{4-[(2-ethyl-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-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | C679-0554 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enenitrile |
| Molecular Weight: | 454.51 |
| Molecular Formula: | C24 H18 N6 O2 S |
| Smiles: | CCC1=NN2C(=NC(COc3ccc(/C=C(C#N)/c4nc5ccccc5[nH]4)cc3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.1022 |
| logD: | 4.0948 |
| logSw: | -4.1627 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.749 |
| InChI Key: | KTJLZUNGOPNIHI-UHFFFAOYSA-N |