N-(4-butylphenyl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-butylphenyl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-butylphenyl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C592-2381 |
| Compound Name: | N-(4-butylphenyl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 419.55 |
| Molecular Formula: | C23 H25 N5 O S |
| Smiles: | CCCCc1ccc(cc1)NC(CSc1nnc(c2c[nH]c3ccccc23)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3145 |
| logD: | 5.3145 |
| logSw: | -5.3553 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.071 |
| InChI Key: | ATSIVUMIDAIWBN-UHFFFAOYSA-N |