2-(1H-benzimidazol-2-yl)-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]-3-methoxyphenyl}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]-3-methoxyphenyl}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]-3-methoxyphenyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | C679-0557 |
| 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]-3-methoxyphenyl}prop-2-enenitrile |
| Molecular Weight: | 484.54 |
| Molecular Formula: | C25 H20 N6 O3 S |
| Smiles: | CCC1=NN2C(=NC(COc3ccc(/C=C(C#N)/c4nc5ccccc5[nH]4)cc3OC)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.8274 |
| logD: | 3.82 |
| logSw: | -4.0992 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.466 |
| InChI Key: | LOVVQWIAMINZAO-UHFFFAOYSA-N |