N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-7-oxo-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-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-6710 |
| Compound Name: | N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C16 H14 N6 O2 S2 |
| Smiles: | CC1=CC(Nc2nnc(n12)SCC(Nc1nc2ccc(C)cc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4291 |
| logD: | 2.4129 |
| logSw: | -2.8361 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.608 |
| InChI Key: | HXNBFXUEJOVNKY-UHFFFAOYSA-N |