5-amino-1-[(4-methylphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(4-methylphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(4-methylphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | C549-0187 |
Compound Name: | 5-amino-1-[(4-methylphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 353.44 |
Molecular Formula: | C18 H19 N5 O S |
Smiles: | Cc1ccc(Cn2c(c(C(Nc3cccc(c3)SC)=O)nn2)N)cc1 |
Stereo: | ACHIRAL |
logP: | 2.9512 |
logD: | 2.9512 |
logSw: | -3.2869 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 69.287 |
InChI Key: | DNSIXSJJIRDQGE-UHFFFAOYSA-N |