Name: 2-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-4-phenyl-7-propyl-pyrrolo[1,2-b]pyridazine-5,6-dicarboxylic acid diethyl ester
SMILES:
CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCC4(CC3)OCCO4)nn12Molecular Processing
Molecular formula
C29H35N3O6
Molecular weight
521.61
Exact mass
521.2526
XLogP
4.65
TPSA
91.6
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
142.62
Supplementary Information
Fetching details…
Involved in 2 reactions→