Nom: 6-chloro-4-ethyl-4-(4-bromophenyl)-3-(2,2,2-trifluoroethyl)-3,4-dihydroquinazolin-2(1H)-one
SMILES:
CCC1(c2ccc(Br)cc2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)FMolecular Processing
Molecular formula
C18H15BrClF3N2O
Molecular weight
447.68
Exact mass
446.0008
XLogP
6.17
TPSA
32.34
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
98.44
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→