N-(2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)propanamide
Chemical Structure Depiction of
N-(2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)propanamide
N-(2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)propanamide
Compound characteristics
| Compound ID: | G072-1527 |
| Compound Name: | N-(2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)propanamide |
| Molecular Weight: | 428.57 |
| Molecular Formula: | C21 H24 N4 O2 S2 |
| Smiles: | CCC(Nc1ccccc1SCC1=CC(N2C(=N1)SC(C1CCCCC1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0088 |
| logD: | 4.0087 |
| logSw: | -3.9908 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.643 |
| InChI Key: | SEZAXZQNQBINNX-UHFFFAOYSA-N |