N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)cyclohexanecarboxamide
N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | C679-4192 |
| Compound Name: | N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)cyclohexanecarboxamide |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C22 H26 N4 O3 S |
| Smiles: | CC(C)C1=NN2C(=NC(COc3cccc(c3)NC(C3CCCCC3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.1134 |
| logD: | 4.1051 |
| logSw: | -4.2101 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.053 |
| InChI Key: | NKKIKUGSBQXDIP-UHFFFAOYSA-N |