名称: [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]methanone
SMILES:
CC1CCCN(C1CN)C(=O)C2=C(C=CC(=C2)C)N3C=NC(=N3)C(F)(F)FMolecular Processing
Molecular formula
C18H22F3N5O
Molecular weight
381.4
Exact mass
381.1776
XLogP
2.79
TPSA
77.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
93.37
Supplementary Information
InChIKey: ZXXPMMYIEPNKJC-IUODEOHRSA-N
同義語
((2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl)(5-methyl-2-(3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl)phenyl)methanoneSCHEMBL16277394
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