CC1=CC(=C(C=C1)Cl)OCC(CNC(C)(C)COC2=NN=C(C=C2)Cl)O
Name: 1-(2-chloro-5-methylphenoxy)-3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol
SMILES: CC1=CC(=C(C=C1)Cl)OCC(CNC(C)(C)COC2=NN=C(C=C2)Cl)O

Molecular Processing

Molecular formula
C18H23Cl2N3O3
Molecular weight
400.31
Exact mass
399.1116
XLogP
3.28
TPSA
76.5
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
102.31

Supplementary Information

InChIKey: YBRBOMISDQMDFJ-UHFFFAOYSA-N
Synonyme
1-(2-chloro-5-methylphenoxy)-3-[1,1-dimethyl-2-(3-chloro-6-pyridazinyloxy)ethylamino)-2-propanol1-(2-chloro-5-methylphenoxy)-3-[1,1-dimethyl-2-(3-chloro-6-pyridazinyloxy)ethylamino]-2-propanolSCHEMBL10888923YBRBOMISDQMDFJ-UHFFFAOYSA-N
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