CN(C)C(=O)C1CCN(c2nc(Cl)nc3cc(F)ccc23)CC1
Name: 1-(2-chloro-7-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid dimethylamide
SMILES: CN(C)C(=O)C1CCN(c2nc(Cl)nc3cc(F)ccc23)CC1

Molecular Processing

Molecular formula
C16H18ClFN4O
Molecular weight
336.8
Exact mass
336.1153
XLogP
2.73
TPSA
49.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
88.14

Supplementary Information

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