Name: 2-[4-(5-Bromo-pentyloxy)-3-methoxy-phenyl]-2,3-dihydro-1H-quinazolin-4-one
SMILES:
COc1cc(C2NC(=O)c3ccccc3N2)ccc1OCCCCCBrMolecular Processing
Molecular formula
C20H23BrN2O3
Molecular weight
419.32
Exact mass
418.0892
XLogP
4.49
TPSA
59.59
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
106.41
Supplementary Information
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