SMILES:
Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)c2oc(N3CC(CO)C3)nc2c1C#NMolecular Processing
Molecular formula
C25H29N5O2
Molecular weight
431.54
Exact mass
431.2321
XLogP
3.24
TPSA
79.77
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
125.99
Supplementary Information
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