C1CN(CCN(C1)C2=NC=C(C=C2)Br)C3=NC=C(C=C3)Br
名称: 1,4-bis(5-bromo-2-pyridinyl)-1,4-diazepane
SMILES: C1CN(CCN(C1)C2=NC=C(C=C2)Br)C3=NC=C(C=C3)Br

Molecular Processing

Molecular formula
C15H16Br2N4
Molecular weight
412.13
Exact mass
409.9742
XLogP
3.72
TPSA
32.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
92.92

Supplementary Information

InChIKey: XIAONFSVVDEABC-UHFFFAOYSA-N
同義語
SCHEMBL5238015XIAONFSVVDEABC-UHFFFAOYSA-N1,4-Bis(5-bromo-2-pyridyl)hexahydro-1,4-diazepine
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