N-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-(4-methoxyphenyl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-6782 |
| Compound Name: | N-(4-methoxyphenyl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C20 H17 N5 O3 S |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc2NC(C=C(c3ccccc3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5836 |
| logD: | 2.5766 |
| logSw: | -3.0859 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.528 |
| InChI Key: | QREXXGVSFVJEAM-UHFFFAOYSA-N |