N-(4-chlorophenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | G856-7791 |
Compound Name: | N-(4-chlorophenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
Molecular Weight: | 333.8 |
Molecular Formula: | C14 H12 Cl N5 O S |
Smiles: | C(C(Nc1ccc(cc1)[Cl])=O)Sc1nncn1n1cccc1 |
Stereo: | ACHIRAL |
logP: | 2.4553 |
logD: | 2.4552 |
logSw: | -3.2142 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.902 |
InChI Key: | AAEISRNEFZHTAD-UHFFFAOYSA-N |