COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Oc4cccc(OC(F)(F)F)c4)C3)CC2)cc1
SMILES: COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Oc4cccc(OC(F)(F)F)c4)C3)CC2)cc1

Molecular Processing

Molecular formula
C27H23ClF3N3O5
Molecular weight
561.94
Exact mass
561.1278
XLogP
5.11
TPSA
89.99
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
135.16

Supplementary Information

Details werden geladen…

An 1 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→