CC1=C(C=CC(=C1)C2=NNC(=O)CC2)OCCNCC(COC3=CC=C(C=C3)COCCOC(C)C)O
Name: 3-[4-[2-[[2-hydroxy-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propyl]amino]ethoxy]-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILES: CC1=C(C=CC(=C1)C2=NNC(=O)CC2)OCCNCC(COC3=CC=C(C=C3)COCCOC(C)C)O

Molecular Processing

Molecular formula
C28H39N3O6
Molecular weight
513.64
Exact mass
513.2839
XLogP
2.96
TPSA
110.64
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
16
Heavy atoms
37
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
142.15

Supplementary Information

InChIKey: NMWFGBUDZAQCBU-UHFFFAOYSA-N
Synonyme
SCHEMBL7303245NMWFGBUDZAQCBU-UHFFFAOYSA-NL0046836-[4-[2-[3-(4-(2-Isopropoxyethoxy-methyl)phenoxy)-2-hydroxypropylamino]ethoxy]-3-methyl-phenyl]-4,5-dihydro-3(2H)-pyridazinone
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