名称: N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propanamide
SMILES:
CCC(=O)NC(C)C(C1=CC=CC=C1)OC2=CC3=C(C=C2)N(N=C3)C4=CC=C(C=C4)FMolecular Processing
Molecular formula
C25H24FN3O2
Molecular weight
417.48
Exact mass
417.1853
XLogP
5.2
TPSA
56.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
31
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
0.2
Molar refractivity
118.73
Supplementary Information
InChIKey: MVPPFJVQZYVRTK-GKVSMKOHSA-N
同義語
SCHEMBL836866MVPPFJVQZYVRTK-GKVSMKOHSA-NN-((1S,2R)-2-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-methyl-2-phenylethyl)propanamide
2 件の反応に参加→