N-(4-butylphenyl)-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-(4-butylphenyl)-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-(4-butylphenyl)-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-6674 |
| Compound Name: | N-(4-butylphenyl)-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 371.46 |
| Molecular Formula: | C18 H21 N5 O2 S |
| Smiles: | CCCCc1ccc(cc1)NC(CSc1nnc2NC(C=C(C)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2399 |
| logD: | 3.2238 |
| logSw: | -3.5196 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.846 |
| InChI Key: | PKKODHGVJYEVRJ-UHFFFAOYSA-N |