N-benzyl-2-cyano-3-{4-[(5-oxo-2-propyl-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-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enamide
N-benzyl-2-cyano-3-{4-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enamide
Compound characteristics
| Compound ID: | C679-0483 |
| Compound Name: | N-benzyl-2-cyano-3-{4-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enamide |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C26 H23 N5 O3 S |
| Smiles: | CCCC1=NN2C(=NC(COc3ccc(\C=C(/C#N)C(NCc4ccccc4)=O)cc3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.104 |
| logD: | 4.0995 |
| logSw: | -4.1137 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.143 |
| InChI Key: | RUPJFEDPWCHRPB-UHFFFAOYSA-N |