N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-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-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-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: | G856-6810 |
| Compound Name: | N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C17 H15 N7 O2 S3 |
| Smiles: | CCSc1nnc(NC(CSc2nnc3NC(C=C(c4ccccc4)n23)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.9442 |
| logD: | 2.9373 |
| logSw: | -3.3872 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.89 |
| InChI Key: | RQSGOLQARIXSQN-UHFFFAOYSA-N |