methyl 4-[[6-[4-(N'-methoxycarbonylcarbamimidoyl)phenyl]-2-methyl-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate
Basic information
- CAS
150622-27-8- Standard SMILES
COC(=O)N=C(N)c1ccc(-c2cc(C(=O)NC3CCC(C(=O)OC)CC3)c(=O)n(C)n2)cc1- InChIKey
YCSRUXHQFAELLM-UHFFFAOYSA-N- Molecular formula
- C23H27N5O6
- Average molar mass
- 469.5 g/mol
- Monoisotopic mass
- 469.1961336
Overview
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Names & identifiers
- Preferred name
- methyl 4-[[6-[4-(N'-methoxycarbonylcarbamimidoyl)phenyl]-2-methyl-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate
- IUPAC
- methyl 4-[[6-[4-(N'-methoxycarbonylcarbamimidoyl)phenyl]-2-methyl-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate
Database identifiers
- CAS
150622-27-8- PubChem CID
- 3073587
- DTXSID
DTXSID40934012
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 911
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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