Nombre: 5-(2-hydroxy-propylamino)-1-methyl-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide
SMILES:
CC(O)CNc1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1CMolecular Processing
Molecular formula
C18H28N4O2
Molecular weight
332.45
Exact mass
332.2212
XLogP
1.77
TPSA
79.18
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
91.68
Supplementary Information
Obteniendo detalles…
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