AC1LZ54I
4-[[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]methyl]cyclohexane-1-carboxylic acid
Also Known As: EiM07-17598|4-((6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamido)methyl)cyclohexanecarboxylic acid|4-[[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]methyl]cyclohexane-1-carboxylic acid|4-{[6-(4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZIN-3-YL)HEXANAMIDO]METHYL}CYCLOHEXANE-1-CARBOXYLIC ACID|trans-4-({[6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanoyl]amino}methyl)cyclohexanecarboxylic acid
| Molecular Formula | C21H28N4O4 |
|---|---|
| Molecular Weight | 400.21106 g/mol |
| LogP | 2.3591 |
| Topological Polar Surface Area | 114.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 400.21106 |
| Monoisotopic Mass | 400.21106 |
| Heavy Atoms | 29 |
| Complexity | 902.9344 |
Chemical Identifiers
| CAS Number | 899388-84-2 |
|---|---|
| SMILES | C1CC(CCC1CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3N=N2)C(=O)O |
Product Overview
AC1LZ54I (CAS 899388-84-2), with molecular formula C21H28N4O4 and molecular weight 400.21106 g/mol. IUPAC: 4-[[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]methyl]cyclohexane-1-carboxylic acid.
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