Carboxyamidotriazole

5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide

Also Known As: Carboxyamidotriazole|Carboxyamido-triazole|Carboxiamidotriazol|4-CAI|5-amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide|Carboxyamidotriazole (CAI)|NCIStruc1_001699|NCIStruc2_001836|L-651582|Carboxyamidotriazole (Standard)|L-651,582|L 651582|MERCK L651582|RFE-007|L-651582;CAI|CAI|CA-820|HY-16126R

Molecular Formula	C17H12Cl3N5O2
Molecular Weight	423.00565 g/mol
LogP	3.2
Topological Polar Surface Area	116.89 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	423.00565
Heavy Atoms	27
Complexity	1024.2

Chemical Identifiers

CAS Number	99519-84-3
SMILES	C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CN3C(=C(N=N3)C(=O)N)N)Cl)Cl