CCCc1nc(C(C)O)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
SMILES: CCCc1nc(C(C)O)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

Molecular Processing

Molecular formula
C44H42N6O3
Molecular weight
702.86
Exact mass
702.3318
XLogP
8.27
TPSA
107.95
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
53
Rings
7
Aromatic rings
7
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.205
Molar refractivity
205.21

Supplementary Information

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