2-{[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
2-{[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
Compound ID: | V017-5950 |
Compound Name: | 2-{[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide |
Molecular Weight: | 414.96 |
Molecular Formula: | C21 H23 Cl N4 O S |
Salt: | not_available |
Smiles: | CCN(CC)C(CSc1nnc(Cc2ccccc2)n1c1cccc(c1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.1726 |
logD: | 4.1726 |
logSw: | -4.3571 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 41.365 |
InChI Key: | MMJCEYRJNACKAF-UHFFFAOYSA-N |