N-(4-acetylphenyl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-acetylphenyl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | S322-0290 |
| Compound Name: | N-(4-acetylphenyl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 637.74 |
| Molecular Formula: | C33 H27 N5 O5 S2 |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc(c2cn(c3ccccc23)S(c2ccccc2)(=O)=O)n1c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1471 |
| logD: | 5.1469 |
| logSw: | -4.9951 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.225 |
| InChI Key: | RGMMGYLELSANAD-UHFFFAOYSA-N |