SMILES:
CCCCCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCC1CC1c1ccncc1Molecular Processing
Molecular formula
C27H41N3O
Molecular weight
423.65
Exact mass
423.325
XLogP
5.99
TPSA
45.23
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
10
Heavy atoms
31
Rings
6
Aromatic rings
1
Saturated rings
5
Aliphatic rings
5
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
124.8
Supplementary Information
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