이름: 2-tert-butyl-5-methyl-7-(3-methylaminoazetidin-1-yl)-6-phenyl-1,3-benzoxazole-4-carbonitrile
SMILES:
CNC1CN(c2c(-c3ccccc3)c(C)c(C#N)c3nc(C(C)(C)C)oc23)C1Molecular Processing
Molecular formula
C23H26N4O
Molecular weight
374.49
Exact mass
374.2107
XLogP
4.38
TPSA
65.09
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
112.66
Supplementary Information
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