N-(3-{[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)-2-(phenylsulfanyl)acetamide
Chemical Structure Depiction of
N-(3-{[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)-2-(phenylsulfanyl)acetamide
N-(3-{[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)-2-(phenylsulfanyl)acetamide
Compound characteristics
| Compound ID: | C679-4559 |
| Compound Name: | N-(3-{[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)-2-(phenylsulfanyl)acetamide |
| Molecular Weight: | 480.61 |
| Molecular Formula: | C24 H24 N4 O3 S2 |
| Smiles: | CC(C)CC1=NN2C(=NC(COc3cccc(c3)NC(CSc3ccccc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.7027 |
| logD: | 4.7001 |
| logSw: | -4.4603 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.551 |
| InChI Key: | ROIQKIJCGOJYOD-UHFFFAOYSA-N |