이름: tert-butyl 4-[2-[4-(tetrazol-1-yl)phenoxymethyl]pyridin-5-yl]piperidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(c2ccc(COc3ccc(-n4cnnn4)cc3)nc2)CC1Molecular Processing
Molecular formula
C23H28N6O3
Molecular weight
436.52
Exact mass
436.2223
XLogP
3.75
TPSA
95.26
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
117.51
Supplementary Information
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