3,4-dimethoxy-N-(4-{[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide
Chemical Structure Depiction of
3,4-dimethoxy-N-(4-{[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide
3,4-dimethoxy-N-(4-{[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide
Compound characteristics
| Compound ID: | C679-4622 |
| Compound Name: | 3,4-dimethoxy-N-(4-{[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C25 H26 N4 O5 S |
| Smiles: | CC(C)CC1=NN2C(=NC(COc3ccc(cc3)NC(c3ccc(c(c3)OC)OC)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.9408 |
| logD: | 3.9383 |
| logSw: | -4.2097 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.025 |
| InChI Key: | AIXOAASWORRWME-UHFFFAOYSA-N |