이름: 5-(2-aminoethoxy)-7-chloro-1-[2-methoxy-4-(2-chlorobenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzoazepine
SMILES:
COc1cc(NC(=O)c2ccccc2Cl)ccc1C(=O)N1CCCC(OCCN)c2cc(Cl)ccc21Molecular Processing
Molecular formula
C27H27Cl2N3O4
Molecular weight
528.44
Exact mass
527.1379
XLogP
5.71
TPSA
93.89
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
142.51
Supplementary Information
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