6-(3,4-Dihydro-4-(3,4-dimethoxyphenylcarbonyl)-1,4(2H)-benzoxazin-6-yl)-2,3,4,5-tetrahydropyridazin-3-one

HCID 15599409
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Basic information

Standard SMILES
COc1ccc(C(=O)N2CCOc3ccc(C4=NNC(=O)CC4)cc32)cc1OC
InChIKey
SCDGAIYKCQCXBD-UHFFFAOYSA-N
Molecular formula
C21H21N3O5
Average molar mass
395.4 g/mol

Names & identifiers

Preferred name
6-(3,4-Dihydro-4-(3,4-dimethoxyphenylcarbonyl)-1,4(2H)-benzoxazin-6-yl)-2,3,4,5-tetrahydropyridazin-3-one
IUPAC
3-[4-(3,4-dimethoxybenzoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-4,5-dihydro-1H-pyridazin-6-one

Names & synonyms

SCHEMBL7350788SCDGAIYKCQCXBD-UHFFFAOYSA-N6-(3,4-Dihydro-4-(3,4-dimethoxyphenylcarbonyl)-1,4(2H)-benzoxazin-6-yl)-2,3,4,5-tetrahydropyridazin-3-one

Database identifiers

PubChem CID
15599409

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
89.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
29

Related reactions

3 records
New reaction record

Compound notes

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