C1CN2CCC1C(C2)NC(=O)C3=CN4C(=CC=C4Br)C=N3
名称: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-bromopyrrolo[1,2-a]pyrazine-3-carboxamide
SMILES: C1CN2CCC1C(C2)NC(=O)C3=CN4C(=CC=C4Br)C=N3

Molecular Processing

Molecular formula
C15H17BrN4O
Molecular weight
349.23
Exact mass
348.0586
XLogP
1.92
TPSA
49.64
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
83.31

Supplementary Information

InChIKey: SDQLBZDKIXQSDJ-LBPRGKRZSA-N
同義語
SCHEMBL5917870SDQLBZDKIXQSDJ-LBPRGKRZSA-NN-[(3R)- 1-azabicyclo[2.2.2]oct-3-yl]-6-bromopyrrolo[1,2-a]pyrazine-3-carboxamideN-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-6-bromopyrrolo[1,2-a]pyrazine-3-carboxamide
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