CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(C3CC(CN3C(C4=CC=CC=C4)C5=CC=CC=C5)OCC=C)O
Название: 1-N-[(1S,2S)-1-[(2R,4R)-1-benzhydryl-4-prop-2-enoxypyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILES: CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(C3CC(CN3C(C4=CC=CC=C4)C5=CC=CC=C5)OCC=C)O

Molecular Processing

Molecular formula
C43H49F2N3O4
Molecular weight
709.88
Exact mass
709.3691
XLogP
7.36
TPSA
82.11
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
17
Heavy atoms
52
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.349
Molar refractivity
200.03

Supplementary Information

InChIKey: LUZBSABNKPSHJV-QFLVJEPQSA-N
Синонимы
SCHEMBL3060747LUZBSABNKPSHJV-QFLVJEPQSA-NN1-((1S,2S)-1-((2R,4R)-4-(allyloxy)-1-benzhydrylpyrrolidin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-N3,N3-dipropylisophthalamide
Источник →
Участвует в 4 реакциях→

Расширенный поиск

Поиск подструктуры→Поиск по сходству→