N-(2H-1,3-benzodioxol-5-yl)-2-[(5-{2-[(1H-indol-3-yl)methylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(5-{2-[(1H-indol-3-yl)methylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(5-{2-[(1H-indol-3-yl)methylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | Y509-5676 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(5-{2-[(1H-indol-3-yl)methylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C20 H17 N7 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSc1nnc(N/N=C/c2c[nH]c3ccccc23)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6354 |
| logD: | 2.5972 |
| logSw: | -3.1594 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 105.152 |
| InChI Key: | QTKDFMPHVPFLHM-UHFFFAOYSA-N |