N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-(phenylsulfanyl)acetamide
Chemical Structure Depiction of
N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-(phenylsulfanyl)acetamide
N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-(phenylsulfanyl)acetamide
Compound characteristics
| Compound ID: | G072-1060 |
| Compound Name: | N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-(phenylsulfanyl)acetamide |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C21 H18 N4 O2 S3 |
| Smiles: | CC1=NN2C(=NC(CSc3ccccc3NC(CSc3ccccc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.6151 |
| logD: | 3.6127 |
| logSw: | -3.7828 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.624 |
| InChI Key: | PZBCQMZCPRAJTC-UHFFFAOYSA-N |