الاسم: 7-chloro-5-oxo-1-[6-(2-methylbenzoylamino)nicotinoyl]-2,3,4,5-tetrahydro-1H-benzazepine
SMILES:
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(=O)c3cc(Cl)ccc32)cn1Molecular Processing
Molecular formula
C24H20ClN3O3
Molecular weight
433.9
Exact mass
433.1193
XLogP
4.92
TPSA
79.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
120.06
Supplementary Information
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