N-butyl-N-methyl-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-butyl-N-methyl-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-butyl-N-methyl-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G731-0071 |
| Compound Name: | N-butyl-N-methyl-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 304.41 |
| Molecular Formula: | C15 H20 N4 O S |
| Smiles: | CCCCN(C)C(CSc1nnc(c2ccccc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.191 |
| logD: | 0.9993 |
| logSw: | -2.5258 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.618 |
| InChI Key: | AYWPBUHCZWSKLS-UHFFFAOYSA-N |