COc1cc(C=C(CCCCl)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1-n1cnc(C)c1
SMILES: COc1cc(C=C(CCCCl)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1-n1cnc(C)c1

Molecular Processing

Molecular formula
C28H32ClFN4O3
Molecular weight
527.04
Exact mass
526.2147
XLogP
4.88
TPSA
68.62
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
144.06

Supplementary Information

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