AC1ND6IZ

1-(1-adamantyl)-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Also Known As: A3135/0132562|1-(adamantan-1-yl)-2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one|1-(1-adamantyl)-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone|2-[[5-[4-(1,1-Dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-1-tricyclo[3.3.1.13,7]dec-1-ylethanone|2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone

Molecular Formula	C30H35N3OS
Molecular Weight	485.2501 g/mol
LogP	7.1094
Topological Polar Surface Area	47.78 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	485.2501
Monoisotopic Mass	485.2501
Heavy Atoms	35
Complexity	1187.4534

Chemical Identifiers

CAS Number	632292-92-3
SMILES	CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C45CC6CC(C4)CC(C6)C5