AC1NJSGQ

2-[[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-3-methylphenyl)acetamide

Also Known As: 2-((4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromo-3-methylphenyl)acetamide|2-(4-amino-5-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazol-3-ylt hio))-N-(4-bromo-3-methylphenyl)acetamide|2-[[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-3-methylphenyl)acetamide|2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-3-methylphenyl)acetamide

Molecular Formula	C17H18BrN7OS
Molecular Weight	447.0477 g/mol
LogP	2.67242
Topological Polar Surface Area	114.51 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	447.0477
Monoisotopic Mass	447.0477
Heavy Atoms	27
Complexity	1012.87823

Chemical Identifiers

CAS Number	900271-69-4
SMILES	CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=NNC4=C3CCC4)Br