名称: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-1H-indol-5-amine
SMILES:
C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)N)C4=CC5=C(C=C4)OCCO5Molecular Processing
Molecular formula
C24H30N4O2
Molecular weight
406.53
Exact mass
406.2369
XLogP
3.67
TPSA
66.75
H-bond donors
2
H-bond acceptors
5
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
121.73
Supplementary Information
InChIKey: KRCRHTROOOTMOY-UHFFFAOYSA-N
同義語
SCHEMBL9461272KRCRHTROOOTMOY-UHFFFAOYSA-N6-[4-(4-(5-aminoindol-3-yl)butyl)piperazino]-1,4-benzodioxane
2 件の反応に参加→