2-({5-[(2-methyl-1H-indol-3-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-({5-[(2-methyl-1H-indol-3-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
2-({5-[(2-methyl-1H-indol-3-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | K822-0345 |
| Compound Name: | 2-({5-[(2-methyl-1H-indol-3-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C23 H22 N6 O3 S |
| Smiles: | Cc1c(Cc2nnc(n2CC=C)SCC(Nc2cccc(c2)[N+]([O-])=O)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.1721 |
| logD: | 4.1714 |
| logSw: | -4.4919 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.652 |
| InChI Key: | GUCTVEYPKYEKGG-UHFFFAOYSA-N |