2-({4-(3-methoxypropyl)-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-(3-methoxypropyl)-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-(3-methoxypropyl)-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: | Y503-1106 |
| Compound Name: | 2-({4-(3-methoxypropyl)-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: | 364.47 |
| Molecular Formula: | C16 H24 N6 O2 S |
| Smiles: | Cc1ccn(Cc2nnc(n2CCCOC)SCC(NCC=C)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | -0.1365 |
| logD: | -0.1367 |
| logSw: | -2.0825 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.589 |
| InChI Key: | LSSFQFXWXVJYKU-UHFFFAOYSA-N |