SMILES:
Cc1cc2c(c(N3CC[C@H](N(C)C)C3)c1-c1ccccc1)OC(C#N)(C(=O)N1CCCCC1)N2Molecular Processing
Molecular formula
C27H33N5O2
Molecular weight
459.59
Exact mass
459.2634
XLogP
3.84
TPSA
71.84
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
34
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
133.95
Supplementary Information
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