N-({4-methyl-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-phenylmethanesulfonamide
Chemical Structure Depiction of
N-({4-methyl-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-phenylmethanesulfonamide
N-({4-methyl-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-phenylmethanesulfonamide
Compound characteristics
Compound ID: | D583-0713 |
Compound Name: | N-({4-methyl-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-phenylmethanesulfonamide |
Molecular Weight: | 418.54 |
Molecular Formula: | C19 H22 N4 O3 S2 |
Smiles: | Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCCOc1ccccc1 |
Stereo: | ACHIRAL |
logP: | 2.2789 |
logD: | 2.2789 |
logSw: | -2.5147 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 65.034 |
InChI Key: | CBNFSYHPJSDNNN-UHFFFAOYSA-N |