N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-phenylbutanamide
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-phenylbutanamide
N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-phenylbutanamide
Compound characteristics
| Compound ID: | G072-1074 |
| Compound Name: | N-(2-{[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-phenylbutanamide |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C23 H22 N4 O2 S2 |
| Smiles: | CCC(C(Nc1ccccc1SCC1=CC(N2C(=N1)SC(C)=N2)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4797 |
| logD: | 4.4772 |
| logSw: | -4.2592 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.837 |
| InChI Key: | FEGLCIIWXRWZQR-GOSISDBHSA-N |