Name: 2,4,4a,5-tetrahydro-7-(1,4-dioxa-8-azaspiro[4,5]dec-8-yl)-3H-indeno[1,2-c]pyridazin-3-one
SMILES:
O=C1CC2Cc3cc(N4CCC5(CC4)OCCO5)ccc3C2=NN1Molecular Processing
Molecular formula
C18H21N3O3
Molecular weight
327.38
Exact mass
327.1583
XLogP
1.43
TPSA
63.16
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
24
Rings
5
Aromatic rings
1
Saturated rings
2
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
89.01
Supplementary Information
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