Nom: N1-{(1S,2R)-1-(3,5-Difluorobenzyl)-2-hydroxy-3-[(3-isopropylbenzyl)amino]propyl}-N3,N3-dipropyl-5-(1,3-thiazol-2-yl)isophthalamide
SMILES:
CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(C(C)C)c2)cc(-c2nccs2)c1Molecular Processing
Molecular formula
C37H44F2N4O3S
Molecular weight
662.85
Exact mass
662.3102
XLogP
6.97
TPSA
94.56
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
16
Heavy atoms
47
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.378
Molar refractivity
183.6
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→