O=C1NC(=O)C(c2cn3c4c(cccc24)CC(CBr)C3)=C1c1c[nH]c2cc(F)ccc12
Name: 3-(5-bromomethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(6-fluoro-1H-indol-3-yl)pyrrole-2,5-dione
SMILES: O=C1NC(=O)C(c2cn3c4c(cccc24)CC(CBr)C3)=C1c1c[nH]c2cc(F)ccc12

Molecular Processing

Molecular formula
C24H17BrFN3O2
Molecular weight
478.32
Exact mass
477.0488
XLogP
4.4
TPSA
66.89
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
31
Rings
6
Aromatic rings
4
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
121.15

Supplementary Information

Details werden geladen…

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