이름: 1-(6-chloro-5-fluoropyrimidin-4-yl)-2-methylazepane
SMILES:
CC1CCCCCN1C2=C(C(=NC=N2)Cl)FMolecular Processing
Molecular formula
C11H15ClFN3
Molecular weight
243.71
Exact mass
243.0939
XLogP
3.04
TPSA
29.02
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
62.28
Supplementary Information
InChIKey: PAOKWRWNPIVRMD-UHFFFAOYSA-N
동의어
SCHEMBL83530PAOKWRWNPIVRMD-UHFFFAOYSA-N1-(6-chloro-5-fluoropyrimidin-4-yl)-2-methyl-hexahydro-1H-azepine1-(6-chloro-5-fluoropyrimidin-4-yl)-2-methylhexahydro-1H-azepine
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