Name: 1,1-dimethylethyl-4-[(5-bromo-3,4-dihydro-1H-isochromen-1-yl)methyl]piperazine-1-carboxylate
SMILES:
CC(C)(C)C1CN(CC2OCCc3c(Br)cccc32)CCN1C(=O)[O-]Molecular Processing
Molecular formula
C19H26BrN2O3-
Molecular weight
410.33
Exact mass
409.1132
XLogP
2.44
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
-1
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
98.32
Supplementary Information
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