Nombre: 2-piperidin-1-yl-N-(2-pyridin-2-ylethyl)-6-sulfanylidene-1H-pyrimidine-5-carboxamide
SMILES:
C1CCN(CC1)C2=NC=C(C(=S)N2)C(=O)NCCC3=CC=CC=N3Molecular Processing
Molecular formula
C17H21N5OS
Molecular weight
343.46
Exact mass
343.1467
XLogP
2.5
TPSA
73.91
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
95.76
Supplementary Information
InChIKey: FPOCAQSHVYJAQU-UHFFFAOYSA-N
Sinónimos
FPOCAQSHVYJAQU-UHFFFAOYSA-N4-mercapto-2-piperidin-1-yl-pyrimidine-5-carboxylic acid (2-pyridin-2-yl-ethyl)-amide
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