CC(C(C1=CC2=C(C=C1)OCCO2)OC3=CC4=C(C=C3)N(N=C4)C5=CC=C(C=C5)F)N
الاسم: (1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine
SMILES: CC(C(C1=CC2=C(C=C1)OCCO2)OC3=CC4=C(C=C3)N(N=C4)C5=CC=C(C=C5)F)N

Molecular Processing

Molecular formula
C24H22FN3O3
Molecular weight
419.46
Exact mass
419.1645
XLogP
4.4
TPSA
71.53
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
115.48

Supplementary Information

InChIKey: DRWXDCKLFFYRBY-OWJWWREXSA-N
مرادفات
SCHEMBL413152DRWXDCKLFFYRBY-OWJWWREXSA-N(1R,2S)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yloxy)propan-2-amine
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