CCCc1nc2c(C(=O)NCCO)cccc2n1Cc1ccc2c(c1)COc1ccccc1/C2=C(\C)C#N
SMILES: CCCc1nc2c(C(=O)NCCO)cccc2n1Cc1ccc2c(c1)COc1ccccc1/C2=C(\C)C#N

Molecular Processing

Molecular formula
C31H30N4O3
Molecular weight
506.61
Exact mass
506.2318
XLogP
5
TPSA
100.17
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
146.77

Supplementary Information

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