Name: 6-chloro-3-(2-chloroethyl)-3,4-dihydro-4-phenyl-2(1H)-quinazolinone
SMILES:
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)N1CCClMolecular Processing
Molecular formula
C16H14Cl2N2O
Molecular weight
321.21
Exact mass
320.0483
XLogP
4.52
TPSA
32.34
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
86.18
Supplementary Information
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