N-benzyl-2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enamide
Chemical Structure Depiction of
N-benzyl-2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enamide
N-benzyl-2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enamide
Compound characteristics
| Compound ID: | C679-0482 |
| Compound Name: | N-benzyl-2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enamide |
| Molecular Weight: | 471.54 |
| Molecular Formula: | C25 H21 N5 O3 S |
| Smiles: | CCC1=NN2C(=NC(COc3ccc(\C=C(/C#N)C(NCc4ccccc4)=O)cc3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.5671 |
| logD: | 3.5602 |
| logSw: | -3.7651 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.143 |
| InChI Key: | QAGAWNAOUBNUBB-UHFFFAOYSA-N |