N-(4-methoxyphenyl)-2-({5-[(2-methyl-1H-indol-3-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-2-({5-[(2-methyl-1H-indol-3-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-methoxyphenyl)-2-({5-[(2-methyl-1H-indol-3-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | K822-0418 |
Compound Name: | N-(4-methoxyphenyl)-2-({5-[(2-methyl-1H-indol-3-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
Molecular Weight: | 447.56 |
Molecular Formula: | C24 H25 N5 O2 S |
Smiles: | Cc1c(Cc2nnc(n2CC=C)SCC(Nc2ccc(cc2)OC)=O)c2ccccc2[nH]1 |
Stereo: | ACHIRAL |
logP: | 4.0867 |
logD: | 4.0867 |
logSw: | -4.3745 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.814 |
InChI Key: | JYXJDEMSXDPRRQ-UHFFFAOYSA-N |