N-(5-tert-butyl-2-methoxyphenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
Basic information
- CAS
878919-64-3- Standard SMILES
COc1ccc(C(C)(C)C)cc1NC(=O)CCn1[nH]c(=O)ccc1=O- InChIKey
KIOXKAGFGWISRH-UHFFFAOYSA-N- Molecular formula
- C18H23N3O4
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.16885622
Names & identifiers
- Preferred name
- N-(5-tert-butyl-2-methoxyphenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
- IUPAC
- N-(5-tert-butyl-2-methoxyphenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
Names & synonyms
MLS002251339CHEMBL1871000DTXSID701320838HMS3045K21AKOS034423844SMR001313750Z51756637N-(5-tert-butyl-2-methoxyphenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamideN-(5-tert-Butyl-2-methoxyphenyl)-3-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)propanamide878919-64-3
Database identifiers
- CAS
878919-64-3- PubChem CID
- 9504415
- DTXSID
DTXSID701320838- ChEMBL
CHEMBL1871000
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 553
Experimental & physicochemical properties
Solubility40.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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