N-(2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Chemical Structure Depiction of
N-(2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
N-(2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Compound characteristics
| Compound ID: | G647-2624 |
| Compound Name: | N-(2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C22 H18 N6 O2 S2 |
| Smiles: | CCC(Nc1ccc2c(c1)sc(n2)SCC1=CC(N2C(NC(c3ccccc3)=N2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7875 |
| logD: | 3.7875 |
| logSw: | -3.9273 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.155 |
| InChI Key: | HONRCCWPVXJFPU-UHFFFAOYSA-N |