이름: 5-bromo-3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-1H-indole
SMILES:
C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)Br)C4=CC5=C(C=C4)OCCO5Molecular Processing
Molecular formula
C24H28BrN3O2
Molecular weight
470.41
Exact mass
469.1365
XLogP
4.85
TPSA
40.73
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
125.02
Supplementary Information
InChIKey: HNKPEROZFHHMTI-UHFFFAOYSA-N
동의어
SCHEMBL9461538HNKPEROZFHHMTI-UHFFFAOYSA-N6-[4-(4-(5-bromoindol-3-yl)butyl)piperazino]-1,4-benzodioxane
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