N-(4-{[2-(2-methylpropyl)-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-(4-{[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-{[2-(2-methylpropyl)-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: | C679-4624 |
| Compound Name: | N-(4-{[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C24 H22 N4 O5 S |
| Smiles: | CC(C)CC1=NN2C(=NC(COc3ccc(cc3)NC(c3ccc4c(c3)OCO4)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.239 |
| logD: | 4.2364 |
| logSw: | -4.302 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.88 |
| InChI Key: | OFEUWRFVWOKPFI-UHFFFAOYSA-N |