이름: N-[1-(3-cyclopentyl-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propyl]-2-methylcyclohexanecarboxamide
SMILES:
CCC(NC(=O)C1CCCCC1C)c1nnc(C2CCCC2)[nH]c1=OMolecular Processing
Molecular formula
C19H30N4O2
Molecular weight
346.48
Exact mass
346.2369
XLogP
3.22
TPSA
87.74
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.789
Molar refractivity
96.16
Supplementary Information
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