N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | C679-4041 |
| Compound Name: | N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 436.44 |
| Molecular Formula: | C21 H16 N4 O5 S |
| Smiles: | CC1=NN2C(=NC(COc3cccc(c3)NC(c3ccc4c(c3)OCO4)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.1068 |
| logD: | 3.1016 |
| logSw: | -3.4118 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.15 |
| InChI Key: | KLISXBNMPYWNFJ-UHFFFAOYSA-N |