N-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | Y600-1512 |
Compound Name: | N-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
Molecular Weight: | 350.87 |
Molecular Formula: | C16 H19 Cl N4 O S |
Smiles: | CCn1c(C2CC2)nnc1SCC(Nc1cccc(c1C)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 3.6461 |
logD: | 3.6429 |
logSw: | -3.7819 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.94 |
InChI Key: | OSSZTVWWNGMRFV-UHFFFAOYSA-N |