N-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-6805 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Smiles: | COc1ccc(CCNC(CSc2nnc3NC(C=C(c4ccccc4)n23)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.5743 |
| logD: | 1.5674 |
| logSw: | -2.4898 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.408 |
| InChI Key: | VLJVITWANQJGRW-UHFFFAOYSA-N |