N-(4-acetylphenyl)-2-{[4-benzyl-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[4-benzyl-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[4-benzyl-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0275 |
| Compound Name: | N-(4-acetylphenyl)-2-{[4-benzyl-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 509.63 |
| Molecular Formula: | C29 H27 N5 O2 S |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc(c2ccc3c(c2)c(C)c(C)[nH]3)n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3125 |
| logD: | 5.3122 |
| logSw: | -5.3976 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.871 |
| InChI Key: | ZMGAINAMXCFVSY-UHFFFAOYSA-N |