SMILES:
CCOC(=O)c1[nH]c(C=C2C(=O)Nc3cccc(C4CCNCC4)c32)c2c1CCCC2Molecular Processing
Molecular formula
C25H29N3O3
Molecular weight
419.53
Exact mass
419.2209
XLogP
4.03
TPSA
83.22
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
121.18
Supplementary Information
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