CCOC(=O)N1C=CC(C=N1)C2=C(N=C3N2N=C(C=C3)Cl)C4=CC=CC=C4
Name: ethyl 4-(6-chloro-2-phenylimidazo[1,2-b]pyridazin-3-yl)-4H-pyridazine-1-carboxylate
SMILES: CCOC(=O)N1C=CC(C=N1)C2=C(N=C3N2N=C(C=C3)Cl)C4=CC=CC=C4

Molecular Processing

Molecular formula
C19H16ClN5O2
Molecular weight
381.82
Exact mass
381.0993
XLogP
4.1
TPSA
72.09
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
102.67

Supplementary Information

InChIKey: BOIDRLQHPSOBOV-UHFFFAOYSA-N
Synonyme
SCHEMBL3354227BOIDRLQHPSOBOV-UHFFFAOYSA-NEthyl 4-[6-chloro-2-phenylimidazo[1,2-b]pyridazin-3-yl]-4H-pyridazine-1-carboxylate
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