Nombre: 6-cyclopentylhexyl 4-(5-octylpyrimidin-2-yl)benzoate
SMILES:
CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OCCCCCCC3CCCC3Molecular Processing
Molecular formula
C30H44N2O2
Molecular weight
464.69
Exact mass
464.3403
XLogP
8.34
TPSA
52.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
16
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.633
Molar refractivity
139.87
Supplementary Information
InChIKey: NJKVRTXAMPAWLH-UHFFFAOYSA-N
Sinónimos
SCHEMBL8629367NJKVRTXAMPAWLH-UHFFFAOYSA-N6-cyclopentyl-hexyl 4-(5-octyl-pyrimidin-2-yl)-benzoate
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