AC1M2T8D

2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

Also Known As: 2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide|2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide|2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide|2-{5-[(2-amino(1,3-thiazol-4-yl))methyl]-4-prop-2-enyl(1,2,4-triazol-3-ylthio) }-N-[2-(trifluoromethyl)phenyl]acetamide

Molecular Formula	C18H17F3N6OS2
Molecular Weight	454.08572 g/mol
LogP	3.8432
Topological Polar Surface Area	98.72 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	454.08572
Monoisotopic Mass	454.08572
Heavy Atoms	30
Complexity	1046.7189

Chemical Identifiers

CAS Number	690643-06-2
SMILES	C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(F)(F)F)CC3=CSC(=N3)N