Name: N-[1-(3-cyclopentyl-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILES:
CCC(NC(=O)C1CC2C=CC1C2)c1nnc(C2CCCC2)[nH]c1=OMolecular Processing
Molecular formula
C19H26N4O2
Molecular weight
342.44
Exact mass
342.2056
XLogP
2.6
TPSA
87.74
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.684
Molar refractivity
93.88
Supplementary Information
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Involved in 3 reactions→