2-({5-[(1H-benzotriazol-1-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodophenyl)acetamide
Chemical Structure Depiction of
2-({5-[(1H-benzotriazol-1-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodophenyl)acetamide
2-({5-[(1H-benzotriazol-1-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodophenyl)acetamide
Compound characteristics
| Compound ID: | Y508-8332 |
| Compound Name: | 2-({5-[(1H-benzotriazol-1-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-iodophenyl)acetamide |
| Molecular Weight: | 531.38 |
| Molecular Formula: | C20 H18 I N7 O S |
| Smiles: | C=CCn1c(Cn2c3ccccc3nn2)nnc1SCC(Nc1ccc(cc1)I)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6967 |
| logD: | 3.6936 |
| logSw: | -3.9723 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.042 |
| InChI Key: | UHNJOEHRJYMNAR-UHFFFAOYSA-N |