N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-6807 |
| Compound Name: | N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C21 H16 N6 O2 S2 |
| Smiles: | Cc1ccc2c(c1)sc(NC(CSc1nnc3NC(C=C(c4ccccc4)n13)=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.7595 |
| logD: | 3.7526 |
| logSw: | -3.8699 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.745 |
| InChI Key: | DVIGPOMFAOVSPT-UHFFFAOYSA-N |