CC(C(C1=CC(=CC=C1)OC)OC2=CC3=C(C=C2)N(N=C3)C4=CC=C(C=C4)F)N
이름: (1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-amine
SMILES: CC(C(C1=CC(=CC=C1)OC)OC2=CC3=C(C=C2)N(N=C3)C4=CC=C(C=C4)F)N

Molecular Processing

Molecular formula
C23H22FN3O2
Molecular weight
391.45
Exact mass
391.1696
XLogP
4.64
TPSA
62.3
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
111.04

Supplementary Information

InChIKey: NSFDVLWOLGHOAN-WNSKOXEYSA-N
동의어
SCHEMBL834662NSFDVLWOLGHOAN-WNSKOXEYSA-N(1R,2S)-1-(1-(4-fluorophenyl)indazol-5-yloxy)-1-(3-methoxyphenyl)propan-2-amine(1R,2S)-1-[1-(4-fluorophenyl)-indazol-5-yl]oxy-1-(3-methoxyphenyl)-propan-2-amine(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-(3-methoxyphenyl)propan-2-amine
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