CC1CCCC(N(C1)C2=CC(=NC=N2)Cl)C
Name: (2S,6R)-1-(6-chloropyrimidin-4-yl)-2,6-dimethylazepane
SMILES: CC1CCCC(N(C1)C2=CC(=NC=N2)Cl)C

Molecular Processing

Molecular formula
C12H18ClN3
Molecular weight
239.75
Exact mass
239.1189
XLogP
3.14
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
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
66.87

Supplementary Information

InChIKey: QTTHOSIXSOWPOQ-ZJUUUORDSA-N
Synonyms
SCHEMBL82390QTTHOSIXSOWPOQ-ZJUUUORDSA-N1-(6-chloropyrimidin-4-yl)-cis-2,6-dimethyl-hexahydro-1H-azepine1-(6-chloropyrimidin-4-yl)-cis-2,6-dimethylhexahydro-1H-azepine
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Involved in 10 reactions→

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