4-(((6-(4-Carbamimidoylphenyl)-2-methyl-3-oxo-2,3-dihydropyridazin-4-yl)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid
Basic information
- CAS
150594-76-6- Standard SMILES
Cn1nc(-c2ccc(C(=N)N)cc2)cc(C(=O)NC2CCC(C(=O)O)CC2)c1=O- InChIKey
XECFEKYYVYEYTF-UHFFFAOYSA-N- Molecular formula
- C20H23N5O4
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.17500423
Names & identifiers
- Preferred name
- 4-(((6-(4-Carbamimidoylphenyl)-2-methyl-3-oxo-2,3-dihydropyridazin-4-yl)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid
- IUPAC
- 4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
Names & synonyms
150594-76-6DTXSID309340014-(((6-(4-Carbamimidoylphenyl)-2-methyl-3-oxo-2,3-dihydropyridazin-4-yl)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid4-({[6-(4-Carbamimidoylphenyl)-2-methyl-3-oxo-2,3-dihydropyridazin-4-yl](hydroxy)methylidene}amino)cyclohexane-1-carboxylic acidRefChem:1069616DTXCID8013626556-(4-Amidinophenyl)-4-((trans-4-carboxycyclohexyl)aminocarbonyl)-2-methyl-(2H)-pyridazin-3-oneCyclohexanecarboxylic acid, 4-(((6-(4-(aminoiminomethyl)phenyl)-2,3-dihydro-2-methyl-3-oxo-4-pyridazinyl)carbonyl)amino)-, trans-SCHEMBL8949148SCHEMBL8949277
Database identifiers
- CAS
150594-76-6- PubChem CID
- 3073585
- DTXSID
DTXSID30934001
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 759
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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