AC1NE7BL

2-[[5-[(2,6-dimethylanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide

Also Known As: Oprea1_217305|Oprea1_759461|2-({4-ALLYL-5-[(2,6-DIMETHYLANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)-N-(4-METHYLPHENYL)ACETAMIDE|2-((4-Allyl-5-(((2,6-dimethylphenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide|2-((4-ALLYL-5-((2,6-DIMETHYLANILINO)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(4-METHYLPHENYL)ACETAMIDE|2-(5-{[(2,6-dimethylphenyl)amino]methyl}-4-prop-2-enyl(1,2,4-triazol-3-ylthio) )-N-(4-methylphenyl)acetamide|2-[[5-[(2,6-dimethylanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide|644-844-3

Molecular Formula	C23H27N5OS
Molecular Weight	421.19363 g/mol
LogP	4.73226
Topological Polar Surface Area	71.84 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	9
Exact Mass	421.19363
Monoisotopic Mass	421.19363
Heavy Atoms	30
Complexity	1006.32275

Chemical Identifiers

CAS Number	538337-55-2
SMILES	CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC3=C(C=CC=C3C)C