名称: 3-(2-(benzyloxymethyl)-2H-tetrazol-5-yl)-N-((1R,2S)-2-((S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopentyl)benzamide
SMILES:
CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(-c3nnn(COCc4ccccc4)n3)c2)CC[C@]1(O)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C35H39ClN6O4
Molecular weight
643.19
Exact mass
642.2721
XLogP
5.21
TPSA
122.47
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
46
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
173.41
Supplementary Information
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