이름: 3-(Nα -carbobenzoxyglycyl-glycylamino)-4-hydroxy-4-phenyl-6-chloro-3,4-dihydroquinazoline
SMILES:
O=C(CNC(=O)OCc1ccccc1)NCC(=O)NN1C=Nc2ccc(Cl)cc2C1(O)c1ccccc1Molecular Processing
Molecular formula
C26H24ClN5O5
Molecular weight
521.96
Exact mass
521.1466
XLogP
2.58
TPSA
132.36
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
136.67
Supplementary Information
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