4-(((6-(4-Carbamimidoylphenyl)pyridazin-4-yl)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid
Basic information
- CAS
150594-92-6- Standard SMILES
N=C(N)c1ccc(-c2cc(C(=O)NC3CCC(C(=O)O)CC3)cnn2)cc1- InChIKey
JKIQGKHMVXIMBR-UHFFFAOYSA-N- Molecular formula
- C19H21N5O3
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.16443955
Names & identifiers
- Preferred name
- 4-(((6-(4-Carbamimidoylphenyl)pyridazin-4-yl)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid
- IUPAC
- 4-[[6-(4-carbamimidoylphenyl)pyridazine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
Names & synonyms
150594-92-6DTXSID509340034-(((6-(4-Carbamimidoylphenyl)pyridazin-4-yl)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid4-({[6-(4-Carbamimidoylphenyl)pyridazin-4-yl](hydroxy)methylidene}amino)cyclohexane-1-carboxylic acidRefChem:1069617DTXCID2013626573-(4-Amidinophenyl)-5-((trans-4-carboxycyclohexyl)aminocarbonyl)pyridazineCyclohexanecarboxylic acid, 4-(((6-(4-(aminoiminomethyl)phenyl)-4-pyridazinyl)carbonyl)amino)-, trans-SCHEMBL8949152
Database identifiers
- CAS
150594-92-6- PubChem CID
- 6410705
- DTXSID
DTXSID50934003
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 554
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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