SMILES:
Cc1cc2c(cc1Cl)NC(=O)CC(c1cccc(-c3ccnc(CN(C)CC(C)C)c3)c1)=N2Molecular Processing
Molecular formula
C27H29ClN4O
Molecular weight
461.01
Exact mass
460.203
XLogP
6.26
TPSA
57.59
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
136.48
Supplementary Information
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