Name: tert-Butyl 2-bromo-10-methyl-5,8,9,10-tetrahydropyrido[3′,2′:4,5]pyrrolo[2,3-d]azepine-7(6H)-carboxylate
SMILES:
Cn1c2c(c3ccc(Br)nc31)CCN(C(=O)OC(C)(C)C)CC2Molecular Processing
Molecular formula
C17H22BrN3O2
Molecular weight
380.29
Exact mass
379.0895
XLogP
3.67
TPSA
47.36
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
93.63
Supplementary Information
Details werden geladen…
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