CCN(CC)CCN1CC(Br)c2[nH]c(C=C3C(=O)Nc4ccc(F)cc43)c(C)c2C1=O
Name: 7-bromo-5-(2-diethylamino-ethyl)-2-(5-fluoro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-3-methyl-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one
SMILES: CCN(CC)CCN1CC(Br)c2[nH]c(C=C3C(=O)Nc4ccc(F)cc43)c(C)c2C1=O

Molecular Processing

Molecular formula
C23H26BrFN4O2
Molecular weight
489.39
Exact mass
488.1223
XLogP
4.19
TPSA
68.44
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
123.79

Supplementary Information

Details werden geladen…

An 7 Reaktionen beteiligt