Nom: 3-(allylthio)-N-((1S,2R)-1-(3,5-difluorobenzyl)-3-{[1-(3-ethylphenyl)cyclopropyl]amino}-2-hydroxypropyl)benzamide
SMILES:
C=CCSc1cccc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNC2(c3cccc(CC)c3)CC2)c1Molecular Processing
Molecular formula
C31H34F2N2O2S
Molecular weight
536.69
Exact mass
536.2309
XLogP
5.79
TPSA
61.36
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
13
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
149.42
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→