O=C(NCC(=O)N1CCC(Oc2ccccc2Br)CC1)c1cc(-c2ccccc2)on1
SMILES: O=C(NCC(=O)N1CCC(Oc2ccccc2Br)CC1)c1cc(-c2ccccc2)on1

Molecular Processing

Molecular formula
C23H22BrN3O4
Molecular weight
484.35
Exact mass
483.0794
XLogP
3.9
TPSA
84.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
118.64

Supplementary Information

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