N-cyclohexyl-N-methyl-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-cyclohexyl-N-methyl-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-cyclohexyl-N-methyl-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G731-0083 |
| Compound Name: | N-cyclohexyl-N-methyl-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 330.45 |
| Molecular Formula: | C17 H22 N4 O S |
| Smiles: | CN(C1CCCCC1)C(CSc1nnc(c2ccccc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8602 |
| logD: | 1.6685 |
| logSw: | -3.1694 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.42 |
| InChI Key: | DWVFZOHROSMIMD-UHFFFAOYSA-N |