CC(C)(C)OC(=O)N1C[C@H]2CCN(c3ccc(Br)cc3)[C@H]2C1
名称: (3aR,6aR)-tert-butyl 1-(4-bromophenyl)hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate
SMILES: CC(C)(C)OC(=O)N1C[C@H]2CCN(c3ccc(Br)cc3)[C@H]2C1

Molecular Processing

Molecular formula
C17H23BrN2O2
Molecular weight
367.29
Exact mass
366.0943
XLogP
3.89
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
91.19

Supplementary Information

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