CC(C)CC1C(=O)NC(C(=O)N1C(C2=C(C=C(C=C2)F)F)C(=O)O)C3CC4=CC=CC=C4C3
Nom: 2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetic acid
SMILES: CC(C)CC1C(=O)NC(C(=O)N1C(C2=C(C=C(C=C2)F)F)C(=O)O)C3CC4=CC=CC=C4C3

Molecular Processing

Molecular formula
C25H26F2N2O4
Molecular weight
456.49
Exact mass
456.1861
XLogP
3.25
TPSA
86.71
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
116.09

Supplementary Information

InChIKey: YCNFITCBRJIXSU-JAZPPYFYSA-N
Synonymes
SCHEMBL3933557YCNFITCBRJIXSU-JAZPPYFYSA-N(2RS)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutyl-2,5-dioxopiperazin-1-yl]-ethanoic acid
Voir la source →
Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→