2-({4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
2-({4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide
2-({4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | Y503-1103 |
| Compound Name: | 2-({4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 306.39 |
| Molecular Formula: | C13 H18 N6 O S |
| Smiles: | Cc1ccn(Cc2nnc(n2C)SCC(NCC=C)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | -0.5573 |
| logD: | -0.5577 |
| logSw: | -1.9906 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.078 |
| InChI Key: | OOVGRBMDEWSXID-UHFFFAOYSA-N |