CC1CCCC(N(C1)C2=C(C(=NC=N2)Cl)F)C
الاسم: (2S,6S)-1-(6-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylazepane
SMILES: CC1CCCC(N(C1)C2=C(C(=NC=N2)Cl)F)C

Molecular Processing

Molecular formula
C12H17ClFN3
Molecular weight
257.74
Exact mass
257.1095
XLogP
3.28
TPSA
29.02
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
66.82

Supplementary Information

InChIKey: KXZJPIBZURSBLW-IUCAKERBSA-N
مرادفات
SCHEMBL82976KXZJPIBZURSBLW-IUCAKERBSA-N1-(6-chloro-5-fluoropyrimidin-4-yl)-trans-2,6-dimethylhexahydro-1H-azepine1-(6-chloro-5-fluoropyrimidin-4-yl)-trans-2,6-dimethyl-hexahydro-1H-azepine
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