Name: 2-bromo-8-chloro-5-[(4-methoxyphenyl)sulfonyl]-6-methyl-5,6-dihydrophenanthridine
SMILES:
COc1ccc(S(=O)(=O)N2c3ccc(Br)cc3-c3ccc(Cl)cc3C2C)cc1Molecular Processing
Molecular formula
C21H17BrClNO3S
Molecular weight
478.8
Exact mass
476.9801
XLogP
6.05
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
115.66
Supplementary Information
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