Name: 2-aminomethyl-3-acetamido-4-bromo-4-(2-chlorophenyl)-6-chloro-3,4-dihydroquinazoline dihydrobromide dihydrate
SMILES:
Br.Br.CC(=O)NN1C(CN)=Nc2ccc(Cl)cc2C1(Br)c1ccccc1Cl.O.OMolecular Processing
Molecular formula
C17H21Br3Cl2N4O3
Molecular weight
640
Exact mass
635.8541
XLogP
3.45
TPSA
133.72
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
5
Fraction Csp3
0.176
Molar refractivity
132.29
Supplementary Information
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Involved in 2 reactions→