2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C592-2574 |
| Compound Name: | 2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 477.57 |
| Molecular Formula: | C22 H19 N7 O2 S2 |
| Smiles: | Cc1nnc(NC(CSc2nnc(c3c[nH]c4ccccc34)n2c2cccc(c2)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8783 |
| logD: | 3.8375 |
| logSw: | -4.0764 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.628 |
| InChI Key: | QXKDOYRSZTXSFB-UHFFFAOYSA-N |